6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide

C125H168N24O11S — CID 158037836

About 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide

6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide (PubChem CID 158037836) has the molecular formula C125H168N24O11S and a molecular weight of 2214.94 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide
• PubChem CID: 158037836
• Molecular Formula: C125H168N24O11S
• Molecular Weight: 2214.94 g/mol
• Exact Mass: 2213.30
• IUPAC Name: 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide
• SMILES: C=C(CCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1)OC(C)(C)C.C=C(O)C1CN(Cc2ccc(NC(=O)c3cc(N(CC4CC4)C4CCCCC4)ncn3)cc2)C1.CCC(=O)C(C)(C)NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CC)cc2C)ncn1.COCCN(c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1)C(C)C
• InChI: InChI=1S/C30H43N5O4S.C28H39N5O2.C27H35N5O2.C21H28N4O.C19H23N5O2/c1-21-17-25(40(37,38)33-16-15-22(2)39-30(3,4)5)13-14-26(21)34-29(36)27-18-28(32-20-31-27)35(19-23-11-12-23)24-9-7-6-8-10-24;1-4-25(34)28(2,3)31-17-20-12-14-22(15-13-20)32-27(35)24-16-26(30-19-29-24)33(18-21-10-11-21)23-8-6-5-7-9-23;1-19(33)22-16-31(17-22)14-20-9-11-23(12-10-20)30-27(34)25-13-26(29-18-28-25)32(15-21-7-8-21)24-5-3-2-4-6-24;1-4-10-25(13-17-6-7-17)20-12-19(22-14-23-20)21(26)24-18-9-8-16(5-2)11-15(18)3;1-13(2)24(8-9-26-3)18-11-17(21-12-22-18)19(25)23-15-4-5-16-14(10-15)6-7-20-16/h13-14,17-18,20,23-24,33H,2,6-12,15-16,19H2,1,3-5H3,(H,34,36);12-16,19,21,23,31H,4-11,17-18H2,1-3H3,(H,32,35);9-13,18,21-22,24,33H,1-8,14-17H2,(H,30,34);8-9,11-12,14,17H,4-7,10,13H2,1-3H3,(H,24,26);4-7,10-13,20H,8-9H2,1-3H3,(H,23,25)
• InChIKey: FHZCZRKKUGVGIQ-UHFFFAOYSA-N
• XLogP: 22.79
• TPSA: 423.59 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 47
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2214.94
LogP ≤ 5	22.79
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide?

The IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide (CID 158037836) is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide?

The canonical SMILES for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide is C=C(CCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1)OC(C)(C)C.C=C(O)C1CN(Cc2ccc(NC(=O)c3cc(N(CC4CC4)C4CCCCC4)ncn3)cc2)C1.CCC(=O)C(C)(C)NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CC)cc2C)ncn1.COCCN(c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1)C(C)C.

What is the InChIKey of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide?

The InChIKey is FHZCZRKKUGVGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O4S.C28H39N5O2.C27H35N5O2.C21H28N4O.C19H23N5O2/c1-21-17-25(40(37,38)33-16-15-22(2)39-30(3,4)5)13-14-26(21)34-29(36)27-18-28(32-20-31-27)35(19-23-11-12-23)24-9-7-6-8-10-24;1-4-25(34)28(2,3)31-17-20-12-14-22(15-13-20)32-27(35)24-16-26(30-19-29-24)33(18-21-10-11-21)23-8-6-5-7-9-23;1-19(33)22-16-31(17-22)14-20-9-11-23(12-10-20)30-27(34)25-13-26(29-18-28-25)32(15-21-7-8-21)24-5-3-2-4-6-24;1-4-10-25(13-17-6-7-17)20-12-19(22-14-23-20)21(26)24-18-9-8-16(5-2)11-15(18)3;1-13(2)24(8-9-26-3)18-11-17(21-12-22-18)19(25)23-15-4-5-16-14(10-15)6-7-20-16/h13-14,17-18,20,23-24,33H,2,6-12,15-16,19H2,1,3-5H3,(H,34,36);12-16,19,21,23,31H,4-11,17-18H2,1-3H3,(H,32,35);9-13,18,21-22,24,33H,1-8,14-17H2,(H,30,34);8-9,11-12,14,17H,4-7,10,13H2,1-3H3,(H,24,26);4-7,10-13,20H,8-9H2,1-3H3,(H,23,25).

What are the key properties of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide?

6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 2214.94 g/mol, XLogP of 22.79, 47 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 158037836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).