4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide

C25H28F2N6O2 — CID 172593669

About 4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide

4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide (PubChem CID 172593669) has the molecular formula C25H28F2N6O2 and a molecular weight of 482.54 g/mol. Its IUPAC name is 4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
• PubChem CID: 172593669
• Molecular Formula: C25H28F2N6O2
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.22
• IUPAC Name: 4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
• SMILES: Cc1cc(C(F)F)cc(C)c1-n1cnc(N)c(C(=O)Nc2cncc([C@H]3CCC[C@@H](C)N3)c2)c1=O
• InChI: InChI=1S/C25H28F2N6O2/c1-13-7-16(22(26)27)8-14(2)21(13)33-12-30-23(28)20(25(33)35)24(34)32-18-9-17(10-29-11-18)19-6-4-5-15(3)31-19/h7-12,15,19,22,31H,4-6,28H2,1-3H3,(H,32,34)/t15-,19-/m1/s1
• InChIKey: MLIONBOIOSAFEA-DNVCBOLYSA-N
• XLogP: 4.22
• TPSA: 114.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide?

The IUPAC name of 4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide (CID 172593669) is 4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide.

What is the SMILES notation for 4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide?

The canonical SMILES for 4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide is Cc1cc(C(F)F)cc(C)c1-n1cnc(N)c(C(=O)Nc2cncc([C@H]3CCC[C@@H](C)N3)c2)c1=O.

What is the InChIKey of 4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide?

The InChIKey is MLIONBOIOSAFEA-DNVCBOLYSA-N. The full InChI is InChI=1S/C25H28F2N6O2/c1-13-7-16(22(26)27)8-14(2)21(13)33-12-30-23(28)20(25(33)35)24(34)32-18-9-17(10-29-11-18)19-6-4-5-15(3)31-19/h7-12,15,19,22,31H,4-6,28H2,1-3H3,(H,32,34)/t15-,19-/m1/s1.

What are the key properties of 4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide?

4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 172593669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).