6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide

C24H32F3N7O4 — CID 126683918

About 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide

6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide (PubChem CID 126683918) has the molecular formula C24H32F3N7O4 and a molecular weight of 539.56 g/mol. Its IUPAC name is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide
• PubChem CID: 126683918
• Molecular Formula: C24H32F3N7O4
• Molecular Weight: 539.56 g/mol
• Exact Mass: 539.25
• IUPAC Name: 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide
• SMILES: C[C@@H]1CC1COc1nc(C(=O)NC(CCO)C(F)(F)F)cc(N2CCC(COc3cncnc3N)CC2)n1
• InChI: InChI=1S/C24H32F3N7O4/c1-14-8-16(14)12-38-23-31-17(22(36)32-19(4-7-35)24(25,26)27)9-20(33-23)34-5-2-15(3-6-34)11-37-18-10-29-13-30-21(18)28/h9-10,13-16,19,35H,2-8,11-12H2,1H3,(H,32,36)(H2,28,29,30)/t14-,16?,19?/m1/s1
• InChIKey: VQCROVPQMBYHEX-ICXUMSERSA-N
• XLogP: 2.22
• TPSA: 148.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.56
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide?

The IUPAC name of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide (CID 126683918) is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide.

What is the SMILES notation for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide?

The canonical SMILES for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide is C[C@@H]1CC1COc1nc(C(=O)NC(CCO)C(F)(F)F)cc(N2CCC(COc3cncnc3N)CC2)n1.

What is the InChIKey of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide?

The InChIKey is VQCROVPQMBYHEX-ICXUMSERSA-N. The full InChI is InChI=1S/C24H32F3N7O4/c1-14-8-16(14)12-38-23-31-17(22(36)32-19(4-7-35)24(25,26)27)9-20(33-23)34-5-2-15(3-6-34)11-37-18-10-29-13-30-21(18)28/h9-10,13-16,19,35H,2-8,11-12H2,1H3,(H,32,36)(H2,28,29,30)/t14-,16?,19?/m1/s1.

What are the key properties of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide?

6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide has a molecular weight of 539.56 g/mol, XLogP of 2.22, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(2R)-2-methylcyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 126683918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).