5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine

C10H12FN5 — CID 66118110

IUPAC5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2cncn2C)nc(C)c1F
InChIInChI=1S/C10H12FN5/c1-6-8(11)10(12-2)15-9(14-6)7-4-13-5-16(7)3/h4-5H,1-3H3,(H,12,14,15)
InChIKeySABNXFPJFUOLAH-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.37
Rot. Bonds2

About 5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine

5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine (PubChem CID 66118110) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine
PubChem CID66118110
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2cncn2C)nc(C)c1F
InChIInChI=1S/C10H12FN5/c1-6-8(11)10(12-2)15-9(14-6)7-4-13-5-16(7)3/h4-5H,1-3H3,(H,12,14,15)
InChIKeySABNXFPJFUOLAH-UHFFFAOYSA-N
XLogP1.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine (CID 66118110) is 5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine is CNc1nc(-c2cncn2C)nc(C)c1F.
What is the InChIKey of 5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine?
The InChIKey is SABNXFPJFUOLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-6-8(11)10(12-2)15-9(14-6)7-4-13-5-16(7)3/h4-5H,1-3H3,(H,12,14,15).
What are the key properties of 5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine?
5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine has a molecular weight of 221.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66118110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).