2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid

C136H182N30O24S4 — CID 158595728

IUPAC2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid
SMILESCCCCN(CCC)c1cc(C(=O)Nc2ccc(CNC(C)C(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCC(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)CC(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(=O)O)cc2C)ncn1.CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.Cc1cc(S(=O)(=O)N(C)CC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C25H33N5O5S.C23H31N5O3S.C23H33N5O3.C22H29N5O5S.C22H29N5O3.C21H27N5O5S/c1-17-12-20(36(34,35)29(2)15-24(31)32)10-11-21(17)28-25(33)22-13-23(27-16-26-22)30(14-18-8-9-18)19-6-4-3-5-7-19;1-16-12-19(32(30,31)24-2)10-11-20(16)27-23(29)21-13-22(26-15-25-21)28(14-17-8-9-17)18-6-4-3-5-7-18;1-5-7-11-28(10-6-2)21-13-20(25-15-26-21)22(29)27-19-9-8-18(12-16(19)3)14-24-17(4)23(30)31;1-4-9-27(12-16-5-6-16)20-11-19(23-14-24-20)22(30)25-18-8-7-17(10-15(18)2)33(31,32)26(3)13-21(28)29;1-3-8-27(13-16-4-5-16)20-10-19(24-14-25-20)22(30)26-18-7-6-17(9-15(18)2)11-23-12-21(28)29;1-3-8-26(12-15-4-5-15)19-10-18(22-13-23-19)21(29)25-17-7-6-16(9-14(17)2)32(30,31)24-11-20(27)28/h10-13,16,18-19H,3-9,14-15H2,1-2H3,(H,28,33)(H,31,32);10-13,15,17-18,24H,3-9,14H2,1-2H3,(H,27,29);8-9,12-13,15,17,24H,5-7,10-11,14H2,1-4H3,(H,27,29)(H,30,31);7-8,10-11,14,16H,4-6,9,12-13H2,1-3H3,(H,25,30)(H,28,29);6-7,9-10,14,16,23H,3-5,8,11-13H2,1-2H3,(H,26,30)(H,28,29);6-7,9-10,13,15,24H,3-5,8,11-12H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyHUZUIGCTZCUYNG-UHFFFAOYSA-N
MW2749.41 g/mol
LogP17.64
Rot. Bonds63

About 2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid

2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid (PubChem CID 158595728) has the molecular formula C136H182N30O24S4 and a molecular weight of 2749.41 g/mol. Its IUPAC name is 2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid
PubChem CID158595728
Molecular FormulaC136H182N30O24S4
Molecular Weight2749.41 g/mol
Exact Mass2747.28
IUPAC Name2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid
SMILESCCCCN(CCC)c1cc(C(=O)Nc2ccc(CNC(C)C(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCC(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)CC(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(=O)O)cc2C)ncn1.CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.Cc1cc(S(=O)(=O)N(C)CC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C25H33N5O5S.C23H31N5O3S.C23H33N5O3.C22H29N5O5S.C22H29N5O3.C21H27N5O5S/c1-17-12-20(36(34,35)29(2)15-24(31)32)10-11-21(17)28-25(33)22-13-23(27-16-26-22)30(14-18-8-9-18)19-6-4-3-5-7-19;1-16-12-19(32(30,31)24-2)10-11-20(16)27-23(29)21-13-22(26-15-25-21)28(14-17-8-9-17)18-6-4-3-5-7-18;1-5-7-11-28(10-6-2)21-13-20(25-15-26-21)22(29)27-19-9-8-18(12-16(19)3)14-24-17(4)23(30)31;1-4-9-27(12-16-5-6-16)20-11-19(23-14-24-20)22(30)25-18-8-7-17(10-15(18)2)33(31,32)26(3)13-21(28)29;1-3-8-27(13-16-4-5-16)20-10-19(24-14-25-20)22(30)26-18-7-6-17(9-15(18)2)11-23-12-21(28)29;1-3-8-26(12-15-4-5-15)19-10-18(22-13-23-19)21(29)25-17-7-6-16(9-14(17)2)32(30,31)24-11-20(27)28/h10-13,16,18-19H,3-9,14-15H2,1-2H3,(H,28,33)(H,31,32);10-13,15,17-18,24H,3-9,14H2,1-2H3,(H,27,29);8-9,12-13,15,17,24H,5-7,10-11,14H2,1-4H3,(H,27,29)(H,30,31);7-8,10-11,14,16H,4-6,9,12-13H2,1-3H3,(H,25,30)(H,28,29);6-7,9-10,14,16,23H,3-5,8,11-13H2,1-2H3,(H,26,30)(H,28,29);6-7,9-10,13,15,24H,3-5,8,11-12H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyHUZUIGCTZCUYNG-UHFFFAOYSA-N
XLogP17.64
TPSA726.38 Ų
H-Bond Donors15
H-Bond Acceptors39
Rotatable Bonds63
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002749.41
LogP ≤ 517.64
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1039

Analyze 2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[[6-[Cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid
CID 59447014
4-[2-[6-[Bis(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;2-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]acetic acid;3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoic acid;4-[2-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-(dipropylamino)pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;3-methyl-4-[2-oxo-2-[6-[propan-2-yl(propyl)amino]pyrimidin-4-yl]ethyl]benzenesulfonamide
CID 157263487
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetic acid;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoic acid;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methyl-methylamino]acetic acid
CID 157612284
2-[[4-[2-[6-[Cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonyl-methylamino]acetic acid;4-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]butanoic acid;4-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-2-methylbutanoic acid;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl]pyrrolidin-2-one;2-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]acetic acid;3-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoic acid;2-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonyl-methylamino]acetic acid
CID 157869600
N-[4-(amino-methylidene-oxo-lambda6-sulfanyl)-2-methylphenyl]-6-[cyclohexyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;N-[4-(amino-methylidene-oxo-lambda6-sulfanyl)-2-methylphenyl]-6-[cyclohexyl(propyl)amino]pyrimidine-4-carboxamide;N-[4-(amino-methylidene-oxo-lambda6-sulfanyl)-2-methylphenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(2-hydroxybutylsulfamoyl)phenyl]pyrimidine-4-carboxamide
CID 157956826
6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylsulfonyl-2-methylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(2-methoxyethylsulfamoyl)-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylsulfonyl-2-methylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(4-hydroxypent-4-enylsulfamoyl)-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(2-methoxyethylsulfamoyl)-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(3-oxobutan-2-ylamino)methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(2-oxopropylsulfamoyl)phenyl]pyrimidine-4-carboxamide
CID 157979738
N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 158008420
N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-lambda6-sulfanyl)-2-methylphenyl]-1-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]ethanone;6-(cyclohexylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3-hydroxypentylsulfonyl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-phenylpyrimidine-4-carboxamide
CID 158619832
N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 158621033
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[methyl(2-oxopropyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-methylidenepyrrolidin-1-yl)methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[methyl(2-oxopropyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[[methyl(propyl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(3-oxobutylamino)methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(3-oxobutylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[(2-oxopropylamino)methyl]phenyl]pyrimidine-4-carboxamide
CID 158667752
2-[[4-[[6-[Cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetic acid;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoic acid;3-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]propanoic acid;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methyl-methylamino]acetic acid
CID 159188661
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(2-methoxyethylsulfamoyl)-6-methylcyclohexa-2,4-dien-1-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(2-methoxyethylsulfamoyl)-6-methylcyclohexa-2,4-dien-1-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(4-oxobutylsulfamoyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide;hydrate
CID 159306678

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid (CID 158595728) is 2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid is CCCCN(CCC)c1cc(C(=O)Nc2ccc(CNC(C)C(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCC(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)CC(=O)O)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(=O)O)cc2C)ncn1.CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1.Cc1cc(S(=O)(=O)N(C)CC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.
What is the InChIKey of 2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid?
The InChIKey is HUZUIGCTZCUYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O5S.C23H31N5O3S.C23H33N5O3.C22H29N5O5S.C22H29N5O3.C21H27N5O5S/c1-17-12-20(36(34,35)29(2)15-24(31)32)10-11-21(17)28-25(33)22-13-23(27-16-26-22)30(14-18-8-9-18)19-6-4-3-5-7-19;1-16-12-19(32(30,31)24-2)10-11-20(16)27-23(29)21-13-22(26-15-25-21)28(14-17-8-9-17)18-6-4-3-5-7-18;1-5-7-11-28(10-6-2)21-13-20(25-15-26-21)22(29)27-19-9-8-18(12-16(19)3)14-24-17(4)23(30)31;1-4-9-27(12-16-5-6-16)20-11-19(23-14-24-20)22(30)25-18-8-7-17(10-15(18)2)33(31,32)26(3)13-21(28)29;1-3-8-27(13-16-4-5-16)20-10-19(24-14-25-20)22(30)26-18-7-6-17(9-15(18)2)11-23-12-21(28)29;1-3-8-26(12-15-4-5-15)19-10-18(22-13-23-19)21(29)25-17-7-6-16(9-14(17)2)32(30,31)24-11-20(27)28/h10-13,16,18-19H,3-9,14-15H2,1-2H3,(H,28,33)(H,31,32);10-13,15,17-18,24H,3-9,14H2,1-2H3,(H,27,29);8-9,12-13,15,17,24H,5-7,10-11,14H2,1-4H3,(H,27,29)(H,30,31);7-8,10-11,14,16H,4-6,9,12-13H2,1-3H3,(H,25,30)(H,28,29);6-7,9-10,14,16,23H,3-5,8,11-13H2,1-2H3,(H,26,30)(H,28,29);6-7,9-10,13,15,24H,3-5,8,11-12H2,1-2H3,(H,25,29)(H,27,28).
What are the key properties of 2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid?
2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid has a molecular weight of 2749.41 g/mol, XLogP of 17.64, 63 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[6-[butyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]propanoic acid;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylsulfamoyl)phenyl]pyrimidine-4-carboxamide;2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]acetic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid is sourced from PubChem (CID 158595728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).