2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine

C12H17ClFN3 — CID 79081755

IUPAC2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCC1CCCCC1CNc1nc(Cl)ncc1F
InChIInChI=1S/C12H17ClFN3/c1-8-4-2-3-5-9(8)6-15-11-10(14)7-16-12(13)17-11/h7-9H,2-6H2,1H3,(H,15,16,17)
InChIKeyMSDPJFANLGPWFT-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.51
Rot. Bonds3

About 2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine (PubChem CID 79081755) has the molecular formula C12H17ClFN3 and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
PubChem CID79081755
Molecular FormulaC12H17ClFN3
Molecular Weight257.74 g/mol
Exact Mass257.11
IUPAC Name2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCC1CCCCC1CNc1nc(Cl)ncc1F
InChIInChI=1S/C12H17ClFN3/c1-8-4-2-3-5-9(8)6-15-11-10(14)7-16-12(13)17-11/h7-9H,2-6H2,1H3,(H,15,16,17)
InChIKeyMSDPJFANLGPWFT-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]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-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine (CID 79081755) is 2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine is CC1CCCCC1CNc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine?
The InChIKey is MSDPJFANLGPWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3/c1-8-4-2-3-5-9(8)6-15-11-10(14)7-16-12(13)17-11/h7-9H,2-6H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine has a molecular weight of 257.74 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79081755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).