6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine

C12H10N4O — CID 166632285

IUPAC6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2ccc3occc3c2)nc(N)n1
InChIInChI=1S/C12H10N4O/c13-11-6-9(15-12(14)16-11)7-1-2-10-8(5-7)3-4-17-10/h1-6H,(H4,13,14,15,16)
InChIKeyQOECRCMTCZDILC-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.05
Rot. Bonds1

About 6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine

6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine (PubChem CID 166632285) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine
PubChem CID166632285
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2ccc3occc3c2)nc(N)n1
InChIInChI=1S/C12H10N4O/c13-11-6-9(15-12(14)16-11)7-1-2-10-8(5-7)3-4-17-10/h1-6H,(H4,13,14,15,16)
InChIKeyQOECRCMTCZDILC-UHFFFAOYSA-N
XLogP2.05
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine (CID 166632285) is 6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine is Nc1cc(-c2ccc3occc3c2)nc(N)n1.
What is the InChIKey of 6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine?
The InChIKey is QOECRCMTCZDILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-11-6-9(15-12(14)16-11)7-1-2-10-8(5-7)3-4-17-10/h1-6H,(H4,13,14,15,16).
What are the key properties of 6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine?
6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine has a molecular weight of 226.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 166632285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).