3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one

C22H25N5O2 — CID 126949759

About 3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one

3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949759) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

• Compound Name: 3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
• PubChem CID: 126949759
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: 3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
• SMILES: Cn1c(CN2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)nccc1=O
• InChI: InChI=1S/C22H25N5O2/c1-25-19(23-11-10-20(25)28)14-26-12-4-7-18(26)21-24-17-6-3-2-5-16(17)22(29)27(21)13-15-8-9-15/h2-3,5-6,10-11,15,18H,4,7-9,12-14H2,1H3
• InChIKey: IFIBDOZYVCBROA-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 73.02 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?

The IUPAC name of 3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (CID 126949759) is 3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.

What is the SMILES notation for 3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?

The canonical SMILES for 3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is Cn1c(CN2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)nccc1=O.

What is the InChIKey of 3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?

The InChIKey is IFIBDOZYVCBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-25-19(23-11-10-20(25)28)14-26-12-4-7-18(26)21-24-17-6-3-2-5-16(17)22(29)27(21)13-15-8-9-15/h2-3,5-6,10-11,15,18H,4,7-9,12-14H2,1H3.

What are the key properties of 3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?

3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 391.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).