2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine

C9H12ClFN4 — CID 79081840

IUPAC2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
SMILESCN1CCC(Nc2nc(Cl)ncc2F)C1
InChIInChI=1S/C9H12ClFN4/c1-15-3-2-6(5-15)13-8-7(11)4-12-9(10)14-8/h4,6H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyQRKSLTMKMKOQDI-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.39
Rot. Bonds2

About 2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine (PubChem CID 79081840) has the molecular formula C9H12ClFN4 and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
PubChem CID79081840
Molecular FormulaC9H12ClFN4
Molecular Weight230.67 g/mol
Exact Mass230.07
IUPAC Name2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
SMILESCN1CCC(Nc2nc(Cl)ncc2F)C1
InChIInChI=1S/C9H12ClFN4/c1-15-3-2-6(5-15)13-8-7(11)4-12-9(10)14-8/h4,6H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyQRKSLTMKMKOQDI-UHFFFAOYSA-N
XLogP1.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-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 2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine (CID 79081840) is 2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine is CN1CCC(Nc2nc(Cl)ncc2F)C1.
What is the InChIKey of 2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
The InChIKey is QRKSLTMKMKOQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN4/c1-15-3-2-6(5-15)13-8-7(11)4-12-9(10)14-8/h4,6H,2-3,5H2,1H3,(H,12,13,14).
What are the key properties of 2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine has a molecular weight of 230.67 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 79081840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).