4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine

C14H12ClN5 — CID 156831933

IUPAC4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCc1cccc(-c2ccn(-c3cc(Cl)nc(N)n3)n2)c1
InChIInChI=1S/C14H12ClN5/c1-9-3-2-4-10(7-9)11-5-6-20(19-11)13-8-12(15)17-14(16)18-13/h2-8H,1H3,(H2,16,17,18)
InChIKeyMKSWYBPCODPHNX-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.87
Rot. Bonds2

About 4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine

4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 156831933) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID156831933
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCc1cccc(-c2ccn(-c3cc(Cl)nc(N)n3)n2)c1
InChIInChI=1S/C14H12ClN5/c1-9-3-2-4-10(7-9)11-5-6-20(19-11)13-8-12(15)17-14(16)18-13/h2-8H,1H3,(H2,16,17,18)
InChIKeyMKSWYBPCODPHNX-UHFFFAOYSA-N
XLogP2.87
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-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 4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine (CID 156831933) is 4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine is Cc1cccc(-c2ccn(-c3cc(Cl)nc(N)n3)n2)c1.
What is the InChIKey of 4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is MKSWYBPCODPHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-9-3-2-4-10(7-9)11-5-6-20(19-11)13-8-12(15)17-14(16)18-13/h2-8H,1H3,(H2,16,17,18).
What are the key properties of 4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine?
4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine has a molecular weight of 285.74 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 156831933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).