N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine

C13H18N4 — CID 115372348

IUPACN-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC1CCCC(Nc2ccn3nccc3n2)C1
InChIInChI=1S/C13H18N4/c1-10-3-2-4-11(9-10)15-12-6-8-17-13(16-12)5-7-14-17/h5-8,10-11H,2-4,9H2,1H3,(H,15,16)
InChIKeyZMKFQMAXPMJUHY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.72
Rot. Bonds2

About N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine

N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115372348) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115372348
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC1CCCC(Nc2ccn3nccc3n2)C1
InChIInChI=1S/C13H18N4/c1-10-3-2-4-11(9-10)15-12-6-8-17-13(16-12)5-7-14-17/h5-8,10-11H,2-4,9H2,1H3,(H,15,16)
InChIKeyZMKFQMAXPMJUHY-UHFFFAOYSA-N
XLogP2.72
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-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 N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 115372348) is N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine is CC1CCCC(Nc2ccn3nccc3n2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ZMKFQMAXPMJUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-3-2-4-11(9-10)15-12-6-8-17-13(16-12)5-7-14-17/h5-8,10-11H,2-4,9H2,1H3,(H,15,16).
What are the key properties of N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 230.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115372348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).