5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine

C11H14ClN5 — CID 114094517

IUPAC5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCC(C)c1nn(C)cc1Nc1ncncc1Cl
InChIInChI=1S/C11H14ClN5/c1-7(2)10-9(5-17(3)16-10)15-11-8(12)4-13-6-14-11/h4-7H,1-3H3,(H,13,14,15)
InChIKeyJWGUXCXNRPLEEC-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.73
Rot. Bonds3

About 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine

5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 114094517) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID114094517
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCC(C)c1nn(C)cc1Nc1ncncc1Cl
InChIInChI=1S/C11H14ClN5/c1-7(2)10-9(5-17(3)16-10)15-11-8(12)4-13-6-14-11/h4-7H,1-3H3,(H,13,14,15)
InChIKeyJWGUXCXNRPLEEC-UHFFFAOYSA-N
XLogP2.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)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 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (CID 114094517) is 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is CC(C)c1nn(C)cc1Nc1ncncc1Cl.
What is the InChIKey of 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is JWGUXCXNRPLEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7(2)10-9(5-17(3)16-10)15-11-8(12)4-13-6-14-11/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 114094517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).