2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine

C8H9ClFN3 — CID 58877311

IUPAC2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCC1CC1
InChIInChI=1S/C8H9ClFN3/c9-8-12-4-6(10)7(13-8)11-3-5-1-2-5/h4-5H,1-3H2,(H,11,12,13)
InChIKeyHKRRMTGKSYDIOT-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.09
Rot. Bonds3

About 2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine

2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine (PubChem CID 58877311) has the molecular formula C8H9ClFN3 and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine
PubChem CID58877311
Molecular FormulaC8H9ClFN3
Molecular Weight201.63 g/mol
Exact Mass201.05
IUPAC Name2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCC1CC1
InChIInChI=1S/C8H9ClFN3/c9-8-12-4-6(10)7(13-8)11-3-5-1-2-5/h4-5H,1-3H2,(H,11,12,13)
InChIKeyHKRRMTGKSYDIOT-UHFFFAOYSA-N
XLogP2.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-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-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine (CID 58877311) is 2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1NCC1CC1.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine?
The InChIKey is HKRRMTGKSYDIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3/c9-8-12-4-6(10)7(13-8)11-3-5-1-2-5/h4-5H,1-3H2,(H,11,12,13).
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine?
2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine has a molecular weight of 201.63 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 58877311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).