2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C24H34N6O2 — CID 110265778

About 2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 110265778) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• PubChem CID: 110265778
• Molecular Formula: C24H34N6O2
• Molecular Weight: 438.58 g/mol
• Exact Mass: 438.27
• IUPAC Name: 2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• SMILES: CNc1nc(C2CCCNC2)nc2c1CCN(C(=O)CN(C)Cc1ccc(OC)cc1)C2
• InChI: InChI=1S/C24H34N6O2/c1-25-24-20-10-12-30(15-21(20)27-23(28-24)18-5-4-11-26-13-18)22(31)16-29(2)14-17-6-8-19(32-3)9-7-17/h6-9,18,26H,4-5,10-16H2,1-3H3,(H,25,27,28)
• InChIKey: OHMAHUGJCLEESG-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 82.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

The IUPAC name of 2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 110265778) is 2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

The canonical SMILES for 2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CNc1nc(C2CCCNC2)nc2c1CCN(C(=O)CN(C)Cc1ccc(OC)cc1)C2.

What is the InChIKey of 2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

The InChIKey is OHMAHUGJCLEESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-25-24-20-10-12-30(15-21(20)27-23(28-24)18-5-4-11-26-13-18)22(31)16-29(2)14-17-6-8-19(32-3)9-7-17/h6-9,18,26H,4-5,10-16H2,1-3H3,(H,25,27,28).

What are the key properties of 2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 438.58 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methoxyphenyl)methyl-methylamino]-1-[4-(methylamino)-2-piperidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 110265778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).