6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine

C15H14FN3O — CID 114734785

IUPAC6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(-c2cc3cc(F)ccc3o2)n1
InChIInChI=1S/C15H14FN3O/c1-2-3-15-18-11(8-14(17)19-15)13-7-9-6-10(16)4-5-12(9)20-13/h4-8H,2-3H2,1H3,(H2,17,18,19)
InChIKeyTXNLLDQLPWZZHP-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.56
Rot. Bonds3

About 6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine

6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine (PubChem CID 114734785) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
PubChem CID114734785
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(-c2cc3cc(F)ccc3o2)n1
InChIInChI=1S/C15H14FN3O/c1-2-3-15-18-11(8-14(17)19-15)13-7-9-6-10(16)4-5-12(9)20-13/h4-8H,2-3H2,1H3,(H2,17,18,19)
InChIKeyTXNLLDQLPWZZHP-UHFFFAOYSA-N
XLogP3.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-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

4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine
CID 114734240
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine
CID 114734108
6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 114734829
6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine
CID 80945275
2-propylpyrimidine-4,6-diamine
CID 67304918
6-(1-methylpyrazol-3-yl)-2-propylpyrimidin-4-amine
CID 103132092
6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione
CID 106521843
6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine
CID 114734823
2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734954
6-(6-methyl-3-pyridinyl)-2-propylpyrimidin-4-amine
CID 80946075
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine
CID 103504469
2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
CID 114734234

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine (CID 114734785) is 6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(-c2cc3cc(F)ccc3o2)n1.
What is the InChIKey of 6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine?
The InChIKey is TXNLLDQLPWZZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-2-3-15-18-11(8-14(17)19-15)13-7-9-6-10(16)4-5-12(9)20-13/h4-8H,2-3H2,1H3,(H2,17,18,19).
What are the key properties of 6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine?
6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine has a molecular weight of 271.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 114734785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).