2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine

C9H9ClFN5 — CID 163914619

IUPAC2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1cnc[nH]1)c1nc(Cl)ncc1F
InChIInChI=1S/C9H9ClFN5/c1-16(4-6-2-12-5-14-6)8-7(11)3-13-9(10)15-8/h2-3,5H,4H2,1H3,(H,12,14)
InChIKeyQVDLGVJVUUCBPV-UHFFFAOYSA-N
MW241.66 g/mol
LogP1.63
Rot. Bonds3

About 2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine

2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 163914619) has the molecular formula C9H9ClFN5 and a molecular weight of 241.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine
PubChem CID163914619
Molecular FormulaC9H9ClFN5
Molecular Weight241.66 g/mol
Exact Mass241.05
IUPAC Name2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1cnc[nH]1)c1nc(Cl)ncc1F
InChIInChI=1S/C9H9ClFN5/c1-16(4-6-2-12-5-14-6)8-7(11)3-13-9(10)15-8/h2-3,5H,4H2,1H3,(H,12,14)
InChIKeyQVDLGVJVUUCBPV-UHFFFAOYSA-N
XLogP1.63
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-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

4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 59728203
Dimethylaminopurine
CID 4312426
2-Methyl-9H-purine
CID 70279
4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine
CID 24945908
1H-Purin-8-amine, N,N-dimethyl-
CID 231431
1-[(1H-Imidazol-4-yl)methyl]piperazine
CID 9793928
[5-(1H-imidazol-2-yl)pyrimidin-2-yl]methanamine
CID 177798164
2-[5-(1H-imidazol-2-yl)pyrimidin-2-yl]ethanamine
CID 177801207
Propylpurine
CID 18353372
Isopropyl purine
CID 18473604
Methylaminochlorpurin
CID 20781937
2-Ethylaminopurine
CID 21218789

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine (CID 163914619) is 2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine is CN(Cc1cnc[nH]1)c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is QVDLGVJVUUCBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN5/c1-16(4-6-2-12-5-14-6)8-7(11)3-13-9(10)15-8/h2-3,5H,4H2,1H3,(H,12,14).
What are the key properties of 2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine?
2-chloro-5-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 241.66 g/mol, XLogP of 1.63, 3 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-(1H-imidazol-5-ylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 163914619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).