6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine

C11H14ClN5 — CID 79779291

IUPAC6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccn(C)n1
InChIInChI=1S/C11H14ClN5/c1-3-4-8-10(12)13-7-14-11(8)15-9-5-6-17(2)16-9/h5-7H,3-4H2,1-2H3,(H,13,14,15,16)
InChIKeyUBXPWAOCCHQYFA-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.56
Rot. Bonds4

About 6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine

6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine (PubChem CID 79779291) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine
PubChem CID79779291
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccn(C)n1
InChIInChI=1S/C11H14ClN5/c1-3-4-8-10(12)13-7-14-11(8)15-9-5-6-17(2)16-9/h5-7H,3-4H2,1-2H3,(H,13,14,15,16)
InChIKeyUBXPWAOCCHQYFA-UHFFFAOYSA-N
XLogP2.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-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

6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine
CID 114251639
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
CID 63735620
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
CID 107607437
6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80850004
N-(1-methylpyrazol-3-yl)-7H-purin-6-amine
CID 79778598
6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
CID 63735094
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine
CID 104727823
N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 113452357

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine (CID 79779291) is 6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1ccn(C)n1.
What is the InChIKey of 6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine?
The InChIKey is UBXPWAOCCHQYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-3-4-8-10(12)13-7-14-11(8)15-9-5-6-17(2)16-9/h5-7H,3-4H2,1-2H3,(H,13,14,15,16).
What are the key properties of 6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine?
6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 79779291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).