6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one

C25H31N7O2 — CID 167163110

About 6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 167163110) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 167163110
• Molecular Formula: C25H31N7O2
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.25
• IUPAC Name: 6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(=O)c1cc2cnc(Nc3ccc(N(C)CCN(C)C)cn3)nc2n(C23CC(C2)[C@H]3C)c1=O
• InChI: InChI=1S/C25H31N7O2/c1-15-18-11-25(15,12-18)32-22-17(10-20(16(2)33)23(32)34)13-27-24(29-22)28-21-7-6-19(14-26-21)31(5)9-8-30(3)4/h6-7,10,13-15,18H,8-9,11-12H2,1-5H3,(H,26,27,28,29)/t15-,18?,25?/m1/s1
• InChIKey: HOYRASHTMQHEQW-NKXMHUCHSA-N
• XLogP: 2.89
• TPSA: 96.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one (CID 167163110) is 6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1cc2cnc(Nc3ccc(N(C)CCN(C)C)cn3)nc2n(C23CC(C2)[C@H]3C)c1=O.

What is the InChIKey of 6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HOYRASHTMQHEQW-NKXMHUCHSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-15-18-11-25(15,12-18)32-22-17(10-20(16(2)33)23(32)34)13-27-24(29-22)28-21-7-6-19(14-26-21)31(5)9-8-30(3)4/h6-7,10,13-15,18H,8-9,11-12H2,1-5H3,(H,26,27,28,29)/t15-,18?,25?/m1/s1.

What are the key properties of 6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one?

6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 461.57 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 167163110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).