2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide

C104H122Cl4N18O12 — CID 158168908

About 2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide

2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 158168908) has the molecular formula C104H122Cl4N18O12 and a molecular weight of 1958.05 g/mol. Its IUPAC name is 2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
• PubChem CID: 158168908
• Molecular Formula: C104H122Cl4N18O12
• Molecular Weight: 1958.05 g/mol
• Exact Mass: 1954.82
• IUPAC Name: 2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
• SMILES: CC1CCC(NC(=O)c2cnc(N3CCC4(CC4)C3)nc2OCc2ccc(CO)c(Cl)c2)CC1.CC1CCC(NC(=O)c2cnc(N3CCCC34CC4)nc2OCc2ccc(CO)c(Cl)c2)CC1.Cc1ccc(CNC(=O)c2cnc(N3CCC4(CC3)CC4)nc2OCc2ccc(CO)c(Cl)c2)cc1.O=C(NCc1ncccn1)c1cnc(N2CCC3(CC3)C2)nc1OCc1ccc(CO)c(Cl)c1
• InChI: InChI=1S/C28H31ClN4O3.2C26H33ClN4O3.C24H25ClN6O3/c1-19-2-4-20(5-3-19)15-30-25(35)23-16-31-27(33-12-10-28(8-9-28)11-13-33)32-26(23)36-18-21-6-7-22(17-34)24(29)14-21;1-17-3-7-20(8-4-17)29-23(33)21-14-28-25(31-12-2-9-26(31)10-11-26)30-24(21)34-16-18-5-6-19(15-32)22(27)13-18;1-17-2-6-20(7-3-17)29-23(33)21-13-28-25(31-11-10-26(16-31)8-9-26)30-24(21)34-15-18-4-5-19(14-32)22(27)12-18;25-19-10-16(2-3-17(19)13-32)14-34-22-18(21(33)28-12-20-26-7-1-8-27-20)11-29-23(30-22)31-9-6-24(15-31)4-5-24/h2-7,14,16,34H,8-13,15,17-18H2,1H3,(H,30,35);5-6,13-14,17,20,32H,2-4,7-12,15-16H2,1H3,(H,29,33);4-5,12-13,17,20,32H,2-3,6-11,14-16H2,1H3,(H,29,33);1-3,7-8,10-11,32H,4-6,9,12-15H2,(H,28,33)
• InChIKey: FXEXWWAYGCMIKU-UHFFFAOYSA-N
• XLogP: 16.87
• TPSA: 376.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1958.05
LogP ≤ 5	16.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?

The IUPAC name of 2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 158168908) is 2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.

What is the SMILES notation for 2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?

The canonical SMILES for 2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is CC1CCC(NC(=O)c2cnc(N3CCC4(CC4)C3)nc2OCc2ccc(CO)c(Cl)c2)CC1.CC1CCC(NC(=O)c2cnc(N3CCCC34CC4)nc2OCc2ccc(CO)c(Cl)c2)CC1.Cc1ccc(CNC(=O)c2cnc(N3CCC4(CC3)CC4)nc2OCc2ccc(CO)c(Cl)c2)cc1.O=C(NCc1ncccn1)c1cnc(N2CCC3(CC3)C2)nc1OCc1ccc(CO)c(Cl)c1.

What is the InChIKey of 2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?

The InChIKey is FXEXWWAYGCMIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN4O3.2C26H33ClN4O3.C24H25ClN6O3/c1-19-2-4-20(5-3-19)15-30-25(35)23-16-31-27(33-12-10-28(8-9-28)11-13-33)32-26(23)36-18-21-6-7-22(17-34)24(29)14-21;1-17-3-7-20(8-4-17)29-23(33)21-14-28-25(31-12-2-9-26(31)10-11-26)30-24(21)34-16-18-5-6-19(15-32)22(27)13-18;1-17-2-6-20(7-3-17)29-23(33)21-13-28-25(31-11-10-26(16-31)8-9-26)30-24(21)34-15-18-4-5-19(14-32)22(27)12-18;25-19-10-16(2-3-17(19)13-32)14-34-22-18(21(33)28-12-20-26-7-1-8-27-20)11-29-23(30-22)31-9-6-24(15-31)4-5-24/h2-7,14,16,34H,8-13,15,17-18H2,1H3,(H,30,35);5-6,13-14,17,20,32H,2-4,7-12,15-16H2,1H3,(H,29,33);4-5,12-13,17,20,32H,2-3,6-11,14-16H2,1H3,(H,29,33);1-3,7-8,10-11,32H,4-6,9,12-15H2,(H,28,33).

What are the key properties of 2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?

2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 1958.05 g/mol, XLogP of 16.87, 30 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-azaspiro[2.4]heptan-4-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(4-methylcyclohexyl)pyrimidine-5-carboxamide;2-(5-azaspiro[2.4]heptan-5-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-4-[[3-chloro-4-(hydroxymethyl)phenyl]methoxy]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 158168908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).