6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine

C13H21N3 — CID 63354387

IUPAC6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(CCC(C)C)n1
InChIInChI=1S/C13H21N3/c1-9(2)4-7-12-15-11(10-5-6-10)8-13(14-3)16-12/h8-10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyYNCIPODVXFCGAJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds5

About 6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine

6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 63354387) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
PubChem CID63354387
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(CCC(C)C)n1
InChIInChI=1S/C13H21N3/c1-9(2)4-7-12-15-11(10-5-6-10)8-13(14-3)16-12/h8-10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyYNCIPODVXFCGAJ-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyl-N-methyl-2-(3-methylbutyl)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 6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine (CID 63354387) is 6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine is CNc1cc(C2CC2)nc(CCC(C)C)n1.
What is the InChIKey of 6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is YNCIPODVXFCGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(2)4-7-12-15-11(10-5-6-10)8-13(14-3)16-12/h8-10H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine?
6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 63354387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).