2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine

C15H13FN4 — CID 74239897

IUPAC2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(-c2ccc(F)c3cccnc23)n1
InChIInChI=1S/C15H13FN4/c1-20(2)13-7-9-18-15(19-13)11-5-6-12(16)10-4-3-8-17-14(10)11/h3-9H,1-2H3
InChIKeyXJNBPBLHQFGUQC-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.90
Rot. Bonds2

About 2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine

2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine (PubChem CID 74239897) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine
PubChem CID74239897
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(-c2ccc(F)c3cccnc23)n1
InChIInChI=1S/C15H13FN4/c1-20(2)13-7-9-18-15(19-13)11-5-6-12(16)10-4-3-8-17-14(10)11/h3-9H,1-2H3
InChIKeyXJNBPBLHQFGUQC-UHFFFAOYSA-N
XLogP2.90
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-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

8-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-fluoroquinoline
CID 121497811
8-chloro-5-fluoroquinoline
CID 53435993
2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine
CID 112618401
5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline
CID 162637941
5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline
CID 77084424
5-(5-fluoroquinolin-8-yl)-2-methyl-4H-1,2,4-triazol-3-one
CID 162627027
8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline
CID 74249674
7-fluoro-5-methylquinolin-8-ol
CID 59613713
4-(5-fluoroquinolin-8-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168589780
2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine
CID 115960312
ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate
CID 62013386
5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline
CID 115959843

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine (CID 74239897) is 2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine is CN(C)c1ccnc(-c2ccc(F)c3cccnc23)n1.
What is the InChIKey of 2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine?
The InChIKey is XJNBPBLHQFGUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c1-20(2)13-7-9-18-15(19-13)11-5-6-12(16)10-4-3-8-17-14(10)11/h3-9H,1-2H3.
What are the key properties of 2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine?
2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine has a molecular weight of 268.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 74239897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).