4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine

C15H13ClFN3O — CID 114735047

IUPAC4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-c2cc3cccc(Cl)c3o2)n1
InChIInChI=1S/C15H13ClFN3O/c1-2-6-18-15-19-8-11(17)13(20-15)12-7-9-4-3-5-10(16)14(9)21-12/h3-5,7-8H,2,6H2,1H3,(H,18,19,20)
InChIKeyKYYTZJZHPYFPHT-UHFFFAOYSA-N
MW305.74 g/mol
LogP4.50
Rot. Bonds4

About 4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine

4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 114735047) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID114735047
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-c2cc3cccc(Cl)c3o2)n1
InChIInChI=1S/C15H13ClFN3O/c1-2-6-18-15-19-8-11(17)13(20-15)12-7-9-4-3-5-10(16)14(9)21-12/h3-5,7-8H,2,6H2,1H3,(H,18,19,20)
InChIKeyKYYTZJZHPYFPHT-UHFFFAOYSA-N
XLogP4.50
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-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

2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine
CID 114734336
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpyrimidin-2-amine
CID 114735069
4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80761320
4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine
CID 114734607
6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine
CID 114734949
5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine
CID 105371641
4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
CID 103291569
4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine
CID 105396175
5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine
CID 115505267
5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80884181
N-[1-(7-chloro-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 105048576
4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80879085

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine (CID 114735047) is 4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(-c2cc3cccc(Cl)c3o2)n1.
What is the InChIKey of 4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is KYYTZJZHPYFPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c1-2-6-18-15-19-8-11(17)13(20-15)12-7-9-4-3-5-10(16)14(9)21-12/h3-5,7-8H,2,6H2,1H3,(H,18,19,20).
What are the key properties of 4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine?
4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 305.74 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 114735047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).