6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide

C125H164N24O19S4 — CID 159541451

IUPAC6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(N)(=O)=O)cc2C)ncn1.CCCN(c1cc(C(=O)Cc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1.COCCN(c1cc(C(=O)Cc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1.O=C(Nc1ccc(CCO)cc1)c1cc(NC2CCCCC2)ncn1.O=C(Nc1ccc(O)cc1)c1cc(NC2CCCCC2)ncn1.O=C(Nc1ccc(S(=O)(=O)CCC(O)CO)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C25H34N4O5S.C22H30N4O4S.C22H30N4O3S.C20H26N4O3S.C19H24N4O2.C17H20N4O2/c30-16-21(31)12-13-35(33,34)22-10-8-19(9-11-22)28-25(32)23-14-24(27-17-26-23)29(15-18-6-7-18)20-4-2-1-3-5-20;1-16-12-19(31(23,28)29)9-8-17(16)13-21(27)20-14-22(25-15-24-20)26(10-11-30-2)18-6-4-3-5-7-18;1-3-11-26(18-7-5-4-6-8-18)22-14-20(24-15-25-22)21(27)13-17-9-10-19(12-16(17)2)30(23,28)29;1-3-8-24(12-15-4-5-15)20-11-18(22-13-23-20)19(25)10-16-6-7-17(9-14(16)2)28(21,26)27;24-11-10-14-6-8-16(9-7-14)23-19(25)17-12-18(21-13-20-17)22-15-4-2-1-3-5-15;22-14-8-6-13(7-9-14)21-17(23)15-10-16(19-11-18-15)20-12-4-2-1-3-5-12/h8-11,14,17-18,20-21,30-31H,1-7,12-13,15-16H2,(H,28,32);8-9,12,14-15,18H,3-7,10-11,13H2,1-2H3,(H2,23,28,29);9-10,12,14-15,18H,3-8,11,13H2,1-2H3,(H2,23,28,29);6-7,9,11,13,15H,3-5,8,10,12H2,1-2H3,(H2,21,26,27);6-9,12-13,15,24H,1-5,10-11H2,(H,23,25)(H,20,21,22);6-12,22H,1-5H2,(H,21,23)(H,18,19,20)
InChIKeyMEGMNOLZCHRACG-UHFFFAOYSA-N
MW2435.10 g/mol
LogP17.52
Rot. Bonds47

About 6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide

6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide (PubChem CID 159541451) has the molecular formula C125H164N24O19S4 and a molecular weight of 2435.10 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
PubChem CID159541451
Molecular FormulaC125H164N24O19S4
Molecular Weight2435.10 g/mol
Exact Mass2433.15
IUPAC Name6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(N)(=O)=O)cc2C)ncn1.CCCN(c1cc(C(=O)Cc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1.COCCN(c1cc(C(=O)Cc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1.O=C(Nc1ccc(CCO)cc1)c1cc(NC2CCCCC2)ncn1.O=C(Nc1ccc(O)cc1)c1cc(NC2CCCCC2)ncn1.O=C(Nc1ccc(S(=O)(=O)CCC(O)CO)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C25H34N4O5S.C22H30N4O4S.C22H30N4O3S.C20H26N4O3S.C19H24N4O2.C17H20N4O2/c30-16-21(31)12-13-35(33,34)22-10-8-19(9-11-22)28-25(32)23-14-24(27-17-26-23)29(15-18-6-7-18)20-4-2-1-3-5-20;1-16-12-19(31(23,28)29)9-8-17(16)13-21(27)20-14-22(25-15-24-20)26(10-11-30-2)18-6-4-3-5-7-18;1-3-11-26(18-7-5-4-6-8-18)22-14-20(24-15-25-22)21(27)13-17-9-10-19(12-16(17)2)30(23,28)29;1-3-8-24(12-15-4-5-15)20-11-18(22-13-23-20)19(25)10-16-6-7-17(9-14(16)2)28(21,26)27;24-11-10-14-6-8-16(9-7-14)23-19(25)17-12-18(21-13-20-17)22-15-4-2-1-3-5-15;22-14-8-6-13(7-9-14)21-17(23)15-10-16(19-11-18-15)20-12-4-2-1-3-5-12/h8-11,14,17-18,20-21,30-31H,1-7,12-13,15-16H2,(H,28,32);8-9,12,14-15,18H,3-7,10-11,13H2,1-2H3,(H2,23,28,29);9-10,12,14-15,18H,3-8,11,13H2,1-2H3,(H2,23,28,29);6-7,9,11,13,15H,3-5,8,10,12H2,1-2H3,(H2,21,26,27);6-9,12-13,15,24H,1-5,10-11H2,(H,23,25)(H,20,21,22);6-12,22H,1-5H2,(H,21,23)(H,18,19,20)
InChIKeyMEGMNOLZCHRACG-UHFFFAOYSA-N
XLogP17.52
TPSA634.98 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds47
Heavy Atoms172
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002435.10
LogP ≤ 517.52
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide (CID 159541451) is 6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide is CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(S(N)(=O)=O)cc2C)ncn1.CCCN(c1cc(C(=O)Cc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1.COCCN(c1cc(C(=O)Cc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1.O=C(Nc1ccc(CCO)cc1)c1cc(NC2CCCCC2)ncn1.O=C(Nc1ccc(O)cc1)c1cc(NC2CCCCC2)ncn1.O=C(Nc1ccc(S(=O)(=O)CCC(O)CO)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1.
What is the InChIKey of 6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide?
The InChIKey is MEGMNOLZCHRACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5S.C22H30N4O4S.C22H30N4O3S.C20H26N4O3S.C19H24N4O2.C17H20N4O2/c30-16-21(31)12-13-35(33,34)22-10-8-19(9-11-22)28-25(32)23-14-24(27-17-26-23)29(15-18-6-7-18)20-4-2-1-3-5-20;1-16-12-19(31(23,28)29)9-8-17(16)13-21(27)20-14-22(25-15-24-20)26(10-11-30-2)18-6-4-3-5-7-18;1-3-11-26(18-7-5-4-6-8-18)22-14-20(24-15-25-22)21(27)13-17-9-10-19(12-16(17)2)30(23,28)29;1-3-8-24(12-15-4-5-15)20-11-18(22-13-23-20)19(25)10-16-6-7-17(9-14(16)2)28(21,26)27;24-11-10-14-6-8-16(9-7-14)23-19(25)17-12-18(21-13-20-17)22-15-4-2-1-3-5-15;22-14-8-6-13(7-9-14)21-17(23)15-10-16(19-11-18-15)20-12-4-2-1-3-5-12/h8-11,14,17-18,20-21,30-31H,1-7,12-13,15-16H2,(H,28,32);8-9,12,14-15,18H,3-7,10-11,13H2,1-2H3,(H2,23,28,29);9-10,12,14-15,18H,3-8,11,13H2,1-2H3,(H2,23,28,29);6-7,9,11,13,15H,3-5,8,10,12H2,1-2H3,(H2,21,26,27);6-9,12-13,15,24H,1-5,10-11H2,(H,23,25)(H,20,21,22);6-12,22H,1-5H2,(H,21,23)(H,18,19,20).
What are the key properties of 6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide?
6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide has a molecular weight of 2435.10 g/mol, XLogP of 17.52, 47 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-[4-(2-hydroxyethyl)phenyl]pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(3,4-dihydroxybutylsulfonyl)phenyl]pyrimidine-4-carboxamide;4-[2-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclohexyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide;4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 159541451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).