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

C23H31N5O2 — CID 110262541

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

1-[2-[6-[(2-methoxy-4-methylphenyl)methyl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110262541) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[2-[6-[(2-methoxy-4-methylphenyl)methyl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[6-[(2-methoxy-4-methylphenyl)methyl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 110262541
• Molecular Formula: C23H31N5O2
• Molecular Weight: 409.53 g/mol
• Exact Mass: 409.25
• IUPAC Name: 1-[2-[6-[(2-methoxy-4-methylphenyl)methyl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
• SMILES: CNc1nc(C2CCCN2C(C)=O)nc2c1CN(Cc1ccc(C)cc1OC)CC2
• InChI: InChI=1S/C23H31N5O2/c1-15-7-8-17(21(12-15)30-4)13-27-11-9-19-18(14-27)22(24-3)26-23(25-19)20-6-5-10-28(20)16(2)29/h7-8,12,20H,5-6,9-11,13-14H2,1-4H3,(H,24,25,26)
• InChIKey: UZMZZCJPSJTENT-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.53
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-[6-[(2-methoxy-4-methylphenyl)methyl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 110262541) is 1-[2-[6-[(2-methoxy-4-methylphenyl)methyl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

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

The canonical SMILES for 1-[2-[6-[(2-methoxy-4-methylphenyl)methyl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is CNc1nc(C2CCCN2C(C)=O)nc2c1CN(Cc1ccc(C)cc1OC)CC2.

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

The InChIKey is UZMZZCJPSJTENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-15-7-8-17(21(12-15)30-4)13-27-11-9-19-18(14-27)22(24-3)26-23(25-19)20-6-5-10-28(20)16(2)29/h7-8,12,20H,5-6,9-11,13-14H2,1-4H3,(H,24,25,26).

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

1-[2-[6-[(2-methoxy-4-methylphenyl)methyl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 409.53 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[6-[(2-methoxy-4-methylphenyl)methyl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110262541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).