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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-Dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
CID 155920140
4-(1-Benzofuran-5-yl)pyridine-2,6-diamine
CID 155920134
4-(2-Methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
CID 155920139
3-(benzofuran-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905195
N-tert-butyl-6-(furan-2-yl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330919
8-Propan-2-ylfuro[3,2-f]quinazoline-1,3-diamine
CID 44523362
6-(furan-2-yl)-N-(3-methylbenzyl)quinazolin-4-amine
CID 45485144
2-Amino-4-(3-furyl)quinazoline
CID 66520426
2-Amino-4-(2-furyl)quinazoline
CID 66520456
4-(Furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 75358126
4-(4-Fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine
CID 75358127
6-(1-Benzofuran-5-yl)pyrimidine-4-carboxylic acid
CID 82388114

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).