2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid

C15H18N4O2 — CID 24917852

About 2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid

2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid (PubChem CID 24917852) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid
• PubChem CID: 24917852
• Molecular Formula: C15H18N4O2
• Molecular Weight: 286.34 g/mol
• Exact Mass: 286.14
• IUPAC Name: 2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid
• SMILES: Cc1ncc2c(n1)CCN(Cc1cccn1CC(=O)O)C2
• InChI: InChI=1S/C15H18N4O2/c1-11-16-7-12-8-18(6-4-14(12)17-11)9-13-3-2-5-19(13)10-15(20)21/h2-3,5,7H,4,6,8-10H2,1H3,(H,20,21)
• InChIKey: FNYMEMRCCYDYBL-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.34
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid (CID 24917852) is 2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid.

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

The canonical SMILES for 2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid is Cc1ncc2c(n1)CCN(Cc1cccn1CC(=O)O)C2.

What is the InChIKey of 2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid?

The InChIKey is FNYMEMRCCYDYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-16-7-12-8-18(6-4-14(12)17-11)9-13-3-2-5-19(13)10-15(20)21/h2-3,5,7H,4,6,8-10H2,1H3,(H,20,21).

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

2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid has a molecular weight of 286.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 24917852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).