N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine

C12H17N5 — CID 46942530

IUPACN-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESCNc1cc(-c2cnn(CC(C)C)c2)ncn1
InChIInChI=1S/C12H17N5/c1-9(2)6-17-7-10(5-16-17)11-4-12(13-3)15-8-14-11/h4-5,7-9H,6H2,1-3H3,(H,13,14,15)
InChIKeyNUTACOGOKDXTBS-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.04
Rot. Bonds4

About N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine

N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine (PubChem CID 46942530) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine
PubChem CID46942530
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESCNc1cc(-c2cnn(CC(C)C)c2)ncn1
InChIInChI=1S/C12H17N5/c1-9(2)6-17-7-10(5-16-17)11-4-12(13-3)15-8-14-11/h4-5,7-9H,6H2,1-3H3,(H,13,14,15)
InChIKeyNUTACOGOKDXTBS-UHFFFAOYSA-N
XLogP2.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-6-[1-(2-methylpropyl)pyrazol-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 N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine (CID 46942530) is N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine is CNc1cc(-c2cnn(CC(C)C)c2)ncn1.
What is the InChIKey of N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is NUTACOGOKDXTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(2)6-17-7-10(5-16-17)11-4-12(13-3)15-8-14-11/h4-5,7-9H,6H2,1-3H3,(H,13,14,15).
What are the key properties of N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine?
N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 46942530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).