4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one

C14H12N4O2 — CID 171485727

IUPAC4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(-c3cc[nH]c(=O)c3)nc(N)n2)o1
InChIInChI=1S/C14H12N4O2/c1-8-2-3-12(20-8)11-7-10(17-14(15)18-11)9-4-5-16-13(19)6-9/h2-7H,1H3,(H,16,19)(H2,15,17,18)
InChIKeyCFALDOCFHFSIJE-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.98
Rot. Bonds2

About 4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one

4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one (PubChem CID 171485727) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one
PubChem CID171485727
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(-c3cc[nH]c(=O)c3)nc(N)n2)o1
InChIInChI=1S/C14H12N4O2/c1-8-2-3-12(20-8)11-7-10(17-14(15)18-11)9-4-5-16-13(19)6-9/h2-7H,1H3,(H,16,19)(H2,15,17,18)
InChIKeyCFALDOCFHFSIJE-UHFFFAOYSA-N
XLogP1.98
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one (CID 171485727) is 4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one is Cc1ccc(-c2cc(-c3cc[nH]c(=O)c3)nc(N)n2)o1.
What is the InChIKey of 4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one?
The InChIKey is CFALDOCFHFSIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8-2-3-12(20-8)11-7-10(17-14(15)18-11)9-4-5-16-13(19)6-9/h2-7H,1H3,(H,16,19)(H2,15,17,18).
What are the key properties of 4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one?
4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one has a molecular weight of 268.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 171485727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).