5-(1-benzofuran-2-yl)pyrimidin-2-amine

C12H9N3O — CID 50972411

IUPAC5-(1-benzofuran-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2cc3ccccc3o2)cn1
InChIInChI=1S/C12H9N3O/c13-12-14-6-9(7-15-12)11-5-8-3-1-2-4-10(8)16-11/h1-7H,(H2,13,14,15)
InChIKeyBLYISXQHVXDSHW-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.47
Rot. Bonds1

About 5-(1-benzofuran-2-yl)pyrimidin-2-amine

5-(1-benzofuran-2-yl)pyrimidin-2-amine (PubChem CID 50972411) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)pyrimidin-2-amine
PubChem CID50972411
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name5-(1-benzofuran-2-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2cc3ccccc3o2)cn1
InChIInChI=1S/C12H9N3O/c13-12-14-6-9(7-15-12)11-5-8-3-1-2-4-10(8)16-11/h1-7H,(H2,13,14,15)
InChIKeyBLYISXQHVXDSHW-UHFFFAOYSA-N
XLogP2.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(1-benzofuran-2-yl)pyrimidin-2-amine 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

5,6-Diphenylfuro[2,3-d]pyrimidin-4-amine
CID 290208
4-Acylamino-6-arylfuro[2,3-d]pyrimidine 15
CID 6539749
4-Acylamino-6-arylfuro[2,3-d]pyrimidine 20
CID 6539754
6-(4-Methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
CID 5329802
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrimidin-2-yl-amine
CID 11573592
(5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amine
CID 11603022
5,6-Bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine
CID 905708
4-(2-Methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine
CID 3825639
2-[2-(1-benzofuran-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 162661275
6-Phenyl-4-(1-pyrrolyl)furo[2,3-d]pyrimidine
CID 653558
(5-Bromo-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amine
CID 11546137
2-(4-Dibenzofuran-4-ylmethyl-piperazin-1-yl)-pyrimidine
CID 44304600

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(1-benzofuran-2-yl)pyrimidin-2-amine (CID 50972411) is 5-(1-benzofuran-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(1-benzofuran-2-yl)pyrimidin-2-amine is Nc1ncc(-c2cc3ccccc3o2)cn1.
What is the InChIKey of 5-(1-benzofuran-2-yl)pyrimidin-2-amine?
The InChIKey is BLYISXQHVXDSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-12-14-6-9(7-15-12)11-5-8-3-1-2-4-10(8)16-11/h1-7H,(H2,13,14,15).
What are the key properties of 5-(1-benzofuran-2-yl)pyrimidin-2-amine?
5-(1-benzofuran-2-yl)pyrimidin-2-amine has a molecular weight of 211.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 50972411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).