N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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

C131H170N24O11S2 — CID 158619832

About N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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

N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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 (PubChem CID 158619832) has the molecular formula C131H170N24O11S2 and a molecular weight of 2321.09 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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.

Molecular Properties

• Compound Name: N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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
• PubChem CID: 158619832
• Molecular Formula: C131H170N24O11S2
• Molecular Weight: 2321.09 g/mol
• Exact Mass: 2319.29
• IUPAC Name: N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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
• SMILES: C=S(N)(=O)c1ccc(CC(=O)c2cc(N(CCC)C3CCCCC3)ncn2)c(C)c1.CC(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCC(O)CCS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCCc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1.Cc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1.O=C(Nc1ccccc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1
• InChI: InChI=1S/C26H36N4O4S.C23H32N4O2S.C23H28N4O2.C21H26N4O.C20H26N4O.C18H22N4O/c1-2-22(31)14-15-35(33,34)23-12-10-20(11-13-23)29-26(32)24-16-25(28-18-27-24)30(17-19-8-9-19)21-6-4-3-5-7-21;1-4-12-27(19-8-6-5-7-9-19)23-15-21(25-16-26-23)22(28)14-18-10-11-20(13-17(18)2)30(3,24)29;1-16(28)18-9-11-19(12-10-18)26-23(29)21-13-22(25-15-24-21)27(14-17-7-8-17)20-5-3-2-4-6-20;26-21(24-17-7-3-1-4-8-17)19-13-20(23-15-22-19)25(14-16-11-12-16)18-9-5-2-6-10-18;1-2-6-15-9-11-17(12-10-15)24-20(25)18-13-19(22-14-21-18)23-16-7-4-3-5-8-16;1-13-7-9-15(10-8-13)22-18(23)16-11-17(20-12-19-16)21-14-5-3-2-4-6-14/h10-13,16,18-19,21-22,31H,2-9,14-15,17H2,1H3,(H,29,32);10-11,13,15-16,19H,3-9,12,14H2,1-2H3,(H2,24,29);9-13,15,17,20H,2-8,14H2,1H3,(H,26,29);1,3-4,7-8,13,15-16,18H,2,5-6,9-12,14H2,(H,24,26);9-14,16H,2-8H2,1H3,(H,24,25)(H,21,22,23);7-12,14H,2-6H2,1H3,(H,22,23)(H,19,20,21)
• InChIKey: HXVYSZUNTYLBDK-UHFFFAOYSA-N
• XLogP: 24.89
• TPSA: 468.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 42
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2321.09
LogP ≤ 5	24.89
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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?

The IUPAC name of N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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) is N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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.

What is the SMILES notation for N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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?

The canonical SMILES for N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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 is C=S(N)(=O)c1ccc(CC(=O)c2cc(N(CCC)C3CCCCC3)ncn2)c(C)c1.CC(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCC(O)CCS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCCc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1.Cc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1.O=C(Nc1ccccc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1.

What is the InChIKey of N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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?

The InChIKey is HXVYSZUNTYLBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4S.C23H32N4O2S.C23H28N4O2.C21H26N4O.C20H26N4O.C18H22N4O/c1-2-22(31)14-15-35(33,34)23-12-10-20(11-13-23)29-26(32)24-16-25(28-18-27-24)30(17-19-8-9-19)21-6-4-3-5-7-21;1-4-12-27(19-8-6-5-7-9-19)23-15-21(25-16-26-23)22(28)14-18-10-11-20(13-17(18)2)30(3,24)29;1-16(28)18-9-11-19(12-10-18)26-23(29)21-13-22(25-15-24-21)27(14-17-7-8-17)20-5-3-2-4-6-20;26-21(24-17-7-3-1-4-8-17)19-13-20(23-15-22-19)25(14-16-11-12-16)18-9-5-2-6-10-18;1-2-6-15-9-11-17(12-10-15)24-20(25)18-13-19(22-14-21-18)23-16-7-4-3-5-8-16;1-13-7-9-15(10-8-13)22-18(23)16-11-17(20-12-19-16)21-14-5-3-2-4-6-14/h10-13,16,18-19,21-22,31H,2-9,14-15,17H2,1H3,(H,29,32);10-11,13,15-16,19H,3-9,12,14H2,1-2H3,(H2,24,29);9-13,15,17,20H,2-8,14H2,1H3,(H,26,29);1,3-4,7-8,13,15-16,18H,2,5-6,9-12,14H2,(H,24,26);9-14,16H,2-8H2,1H3,(H,24,25)(H,21,22,23);7-12,14H,2-6H2,1H3,(H,22,23)(H,19,20,21).

What are the key properties of N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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?

N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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 has a molecular weight of 2321.09 g/mol, XLogP of 24.89, 42 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;2-[4-(amino-methylidene-oxo-λ6-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 is sourced from PubChem (CID 158619832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).