1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane

C180H228N26O20S4 — CID 157190285

IUPAC1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane
SMILESC.CC(=O)CCCS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CC(=O)CCS(=O)(=O)Cc1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CS(=O)(=O)CCC(C)=O)cc2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2cccc3c2C=NC3)ncn1.CCOC(=O)CCCS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.Cn1ccnc1-c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.O=C(Cc1ccc(Cn2ccnc2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C28H37N3O5S.2C27H35N3O4S.2C26H31N5O.C24H31N3O4S.C21H24N4O.CH4/c1-2-36-28(33)9-6-16-37(34,35)24-14-12-21(13-15-24)17-26(32)25-18-27(30-20-29-25)31(19-22-10-11-22)23-7-4-3-5-8-23;1-20(31)6-5-15-35(33,34)24-13-11-21(12-14-24)16-26(32)25-17-27(29-19-28-25)30(18-22-9-10-22)23-7-3-2-4-8-23;1-20(31)13-14-35(33,34)18-23-11-7-21(8-12-23)15-26(32)25-16-27(29-19-28-25)30(17-22-9-10-22)24-5-3-2-4-6-24;1-30-14-13-27-26(30)21-11-9-19(10-12-21)15-24(32)23-16-25(29-18-28-23)31(17-20-7-8-20)22-5-3-2-4-6-22;32-25(14-20-6-8-21(9-7-20)16-30-13-12-27-19-30)24-15-26(29-18-28-24)31(17-22-10-11-22)23-4-2-1-3-5-23;1-3-11-27(15-20-6-7-20)24-14-22(25-17-26-24)23(29)13-19-4-8-21(9-5-19)16-32(30,31)12-10-18(2)28;1-2-8-25(13-15-6-7-15)21-10-19(23-14-24-21)20(26)9-16-4-3-5-17-11-22-12-18(16)17;/h12-15,18,20,22-23H,2-11,16-17,19H2,1H3;11-14,17,19,22-23H,2-10,15-16,18H2,1H3;7-8,11-12,16,19,22,24H,2-6,9-10,13-15,17-18H2,1H3;9-14,16,18,20,22H,2-8,15,17H2,1H3;6-9,12-13,15,18-19,22-23H,1-5,10-11,14,16-17H2;4-5,8-9,14,17,20H,3,6-7,10-13,15-16H2,1-2H3;3-5,10,12,14-15H,2,6-9,11,13H2,1H3;1H4
InChIKeyAPPRIOHEKWCMRZ-UHFFFAOYSA-N
MW3204.23 g/mol
LogP30.57
Rot. Bonds75

About 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane

1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane (PubChem CID 157190285) has the molecular formula C180H228N26O20S4 and a molecular weight of 3204.23 g/mol. Its IUPAC name is 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane.

Molecular Properties

Compound Name1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane
PubChem CID157190285
Molecular FormulaC180H228N26O20S4
Molecular Weight3204.23 g/mol
Exact Mass3201.65
IUPAC Name1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane
SMILESC.CC(=O)CCCS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CC(=O)CCS(=O)(=O)Cc1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CS(=O)(=O)CCC(C)=O)cc2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2cccc3c2C=NC3)ncn1.CCOC(=O)CCCS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.Cn1ccnc1-c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.O=C(Cc1ccc(Cn2ccnc2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C28H37N3O5S.2C27H35N3O4S.2C26H31N5O.C24H31N3O4S.C21H24N4O.CH4/c1-2-36-28(33)9-6-16-37(34,35)24-14-12-21(13-15-24)17-26(32)25-18-27(30-20-29-25)31(19-22-10-11-22)23-7-4-3-5-8-23;1-20(31)6-5-15-35(33,34)24-13-11-21(12-14-24)16-26(32)25-17-27(29-19-28-25)30(18-22-9-10-22)23-7-3-2-4-8-23;1-20(31)13-14-35(33,34)18-23-11-7-21(8-12-23)15-26(32)25-16-27(29-19-28-25)30(17-22-9-10-22)24-5-3-2-4-6-24;1-30-14-13-27-26(30)21-11-9-19(10-12-21)15-24(32)23-16-25(29-18-28-23)31(17-20-7-8-20)22-5-3-2-4-6-22;32-25(14-20-6-8-21(9-7-20)16-30-13-12-27-19-30)24-15-26(29-18-28-24)31(17-22-10-11-22)23-4-2-1-3-5-23;1-3-11-27(15-20-6-7-20)24-14-22(25-17-26-24)23(29)13-19-4-8-21(9-5-19)16-32(30,31)12-10-18(2)28;1-2-8-25(13-15-6-7-15)21-10-19(23-14-24-21)20(26)9-16-4-3-5-17-11-22-12-18(16)17;/h12-15,18,20,22-23H,2-11,16-17,19H2,1H3;11-14,17,19,22-23H,2-10,15-16,18H2,1H3;7-8,11-12,16,19,22,24H,2-6,9-10,13-15,17-18H2,1H3;9-14,16,18,20,22H,2-8,15,17H2,1H3;6-9,12-13,15,18-19,22-23H,1-5,10-11,14,16-17H2;4-5,8-9,14,17,20H,3,6-7,10-13,15-16H2,1-2H3;3-5,10,12,14-15H,2,6-9,11,13H2,1H3;1H4
InChIKeyAPPRIOHEKWCMRZ-UHFFFAOYSA-N
XLogP30.57
TPSA584.70 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds75
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003204.23
LogP ≤ 530.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane with MolForge

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Launch Full Analysis

Related Compounds

2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane
CID 157428308
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(1-methylimidazol-2-yl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3-oxobutylsulfonylmethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(4-oxopentylsulfonyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-isoindol-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(3-oxobutylsulfonylmethyl)phenyl]pyrimidine-4-carboxamide;ethyl 3-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate
CID 157619388
1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-ethylsulfonyl-2-methylphenyl)ethanone;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethyl-N-(2-oxopropyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(3-oxobutyl)benzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-(2-oxopropyl)benzenesulfonamide;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]-3-methylpentan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]pentan-2-one
CID 158422324
4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethylbenzenesulfonamide;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzenesulfonamide;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(2-methyl-4-propylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,3-dimethylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzenesulfonamide;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]butanoic acid
CID 159684677

Frequently Asked Questions

What is the IUPAC name of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane?
The IUPAC name of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane (CID 157190285) is 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane.
What is the SMILES notation for 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane?
The canonical SMILES for 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane is C.CC(=O)CCCS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CC(=O)CCS(=O)(=O)Cc1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CS(=O)(=O)CCC(C)=O)cc2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2cccc3c2C=NC3)ncn1.CCOC(=O)CCCS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.Cn1ccnc1-c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.O=C(Cc1ccc(Cn2ccnc2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1.
What is the InChIKey of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane?
The InChIKey is APPRIOHEKWCMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5S.2C27H35N3O4S.2C26H31N5O.C24H31N3O4S.C21H24N4O.CH4/c1-2-36-28(33)9-6-16-37(34,35)24-14-12-21(13-15-24)17-26(32)25-18-27(30-20-29-25)31(19-22-10-11-22)23-7-4-3-5-8-23;1-20(31)6-5-15-35(33,34)24-13-11-21(12-14-24)16-26(32)25-17-27(29-19-28-25)30(18-22-9-10-22)23-7-3-2-4-8-23;1-20(31)13-14-35(33,34)18-23-11-7-21(8-12-23)15-26(32)25-16-27(29-19-28-25)30(17-22-9-10-22)24-5-3-2-4-6-24;1-30-14-13-27-26(30)21-11-9-19(10-12-21)15-24(32)23-16-25(29-18-28-23)31(17-20-7-8-20)22-5-3-2-4-6-22;32-25(14-20-6-8-21(9-7-20)16-30-13-12-27-19-30)24-15-26(29-18-28-24)31(17-22-10-11-22)23-4-2-1-3-5-23;1-3-11-27(15-20-6-7-20)24-14-22(25-17-26-24)23(29)13-19-4-8-21(9-5-19)16-32(30,31)12-10-18(2)28;1-2-8-25(13-15-6-7-15)21-10-19(23-14-24-21)20(26)9-16-4-3-5-17-11-22-12-18(16)17;/h12-15,18,20,22-23H,2-11,16-17,19H2,1H3;11-14,17,19,22-23H,2-10,15-16,18H2,1H3;7-8,11-12,16,19,22,24H,2-6,9-10,13-15,17-18H2,1H3;9-14,16,18,20,22H,2-8,15,17H2,1H3;6-9,12-13,15,18-19,22-23H,1-5,10-11,14,16-17H2;4-5,8-9,14,17,20H,3,6-7,10-13,15-16H2,1-2H3;3-5,10,12,14-15H,2,6-9,11,13H2,1H3;1H4.
What are the key properties of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane?
1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane has a molecular weight of 3204.23 g/mol, XLogP of 30.57, 75 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(imidazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1-methylimidazol-2-yl)phenyl]ethanone;4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;5-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]butan-2-one;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate;methane is sourced from PubChem (CID 157190285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).