2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine

C16H12N4O — CID 663838

IUPAC2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccncc2)c2oc3ccccc3c2n1
InChIInChI=1S/C16H12N4O/c1-10-18-14-12-4-2-3-5-13(12)21-15(14)16(19-10)20-11-6-8-17-9-7-11/h2-9H,1H3,(H,17,18,19,20)
InChIKeySLFHUCWLHRKVSG-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.82
Rot. Bonds2

About 2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine

2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 663838) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID663838
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccncc2)c2oc3ccccc3c2n1
InChIInChI=1S/C16H12N4O/c1-10-18-14-12-4-2-3-5-13(12)21-15(14)16(19-10)20-11-6-8-17-9-7-11/h2-9H,1H3,(H,17,18,19,20)
InChIKeySLFHUCWLHRKVSG-UHFFFAOYSA-N
XLogP3.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 663838) is 2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine is Cc1nc(Nc2ccncc2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is SLFHUCWLHRKVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-10-18-14-12-4-2-3-5-13(12)21-15(14)16(19-10)20-11-6-8-17-9-7-11/h2-9H,1H3,(H,17,18,19,20).
What are the key properties of 2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 276.30 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 663838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).