N-but-3-en-2-yl-6-methylpyrimidin-4-amine

C9H13N3 — CID 115691966

IUPACN-but-3-en-2-yl-6-methylpyrimidin-4-amine
SMILESC=CC(C)Nc1cc(C)ncn1
InChIInChI=1S/C9H13N3/c1-4-7(2)12-9-5-8(3)10-6-11-9/h4-7H,1H2,2-3H3,(H,10,11,12)
InChIKeyZNHFSSNPRXUPBP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.77
Rot. Bonds3

About N-but-3-en-2-yl-6-methylpyrimidin-4-amine

N-but-3-en-2-yl-6-methylpyrimidin-4-amine (PubChem CID 115691966) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-but-3-en-2-yl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-6-methylpyrimidin-4-amine
PubChem CID115691966
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-but-3-en-2-yl-6-methylpyrimidin-4-amine
SMILESC=CC(C)Nc1cc(C)ncn1
InChIInChI=1S/C9H13N3/c1-4-7(2)12-9-5-8(3)10-6-11-9/h4-7H,1H2,2-3H3,(H,10,11,12)
InChIKeyZNHFSSNPRXUPBP-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-but-3-en-2-yl-6-methylpyrimidin-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-but-3-en-2-yl-6-methylpyrimidin-4-amine?
The IUPAC name of N-but-3-en-2-yl-6-methylpyrimidin-4-amine (CID 115691966) is N-but-3-en-2-yl-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-but-3-en-2-yl-6-methylpyrimidin-4-amine?
The canonical SMILES for N-but-3-en-2-yl-6-methylpyrimidin-4-amine is C=CC(C)Nc1cc(C)ncn1.
What is the InChIKey of N-but-3-en-2-yl-6-methylpyrimidin-4-amine?
The InChIKey is ZNHFSSNPRXUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-7(2)12-9-5-8(3)10-6-11-9/h4-7H,1H2,2-3H3,(H,10,11,12).
What are the key properties of N-but-3-en-2-yl-6-methylpyrimidin-4-amine?
N-but-3-en-2-yl-6-methylpyrimidin-4-amine has a molecular weight of 163.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 115691966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).