6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine

C8H9ClN6 — CID 47280465

IUPAC6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCc2ccn[nH]2)n1
InChIInChI=1S/C8H9ClN6/c9-6-3-7(14-8(10)13-6)11-4-5-1-2-12-15-5/h1-3H,4H2,(H,12,15)(H3,10,11,13,14)
InChIKeyDJXWRAPMLOVPJW-UHFFFAOYSA-N
MW224.66 g/mol
LogP1.05
Rot. Bonds3

About 6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine

6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 47280465) has the molecular formula C8H9ClN6 and a molecular weight of 224.66 g/mol. Its IUPAC name is 6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine
PubChem CID47280465
Molecular FormulaC8H9ClN6
Molecular Weight224.66 g/mol
Exact Mass224.06
IUPAC Name6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCc2ccn[nH]2)n1
InChIInChI=1S/C8H9ClN6/c9-6-3-7(14-8(10)13-6)11-4-5-1-2-12-15-5/h1-3H,4H2,(H,12,15)(H3,10,11,13,14)
InChIKeyDJXWRAPMLOVPJW-UHFFFAOYSA-N
XLogP1.05
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine 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

6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
CID 47280536
3-N-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277126
5-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
CID 133367427
6-methoxy-2-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 66325472
4-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 18388121
3-chloro-4-fluoro-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662509
6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 131062511
6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 46576633
6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine
CID 103463549
N-(1H-pyrazol-5-ylmethyl)pyrazin-2-amine
CID 60966310
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine (CID 47280465) is 6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NCc2ccn[nH]2)n1.
What is the InChIKey of 6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is DJXWRAPMLOVPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6/c9-6-3-7(14-8(10)13-6)11-4-5-1-2-12-15-5/h1-3H,4H2,(H,12,15)(H3,10,11,13,14).
What are the key properties of 6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 224.66 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 47280465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).