N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine

C10H15N3 — CID 79190730

IUPACN,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine
SMILESCNC(C=C(C)C)c1ncccn1
InChIInChI=1S/C10H15N3/c1-8(2)7-9(11-3)10-12-5-4-6-13-10/h4-7,9,11H,1-3H3
InChIKeyFNPNUAQYSLJOBU-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.70
Rot. Bonds3

About N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine

N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine (PubChem CID 79190730) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine
PubChem CID79190730
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine
SMILESCNC(C=C(C)C)c1ncccn1
InChIInChI=1S/C10H15N3/c1-8(2)7-9(11-3)10-12-5-4-6-13-10/h4-7,9,11H,1-3H3
InChIKeyFNPNUAQYSLJOBU-UHFFFAOYSA-N
XLogP1.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-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-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine?
The IUPAC name of N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine (CID 79190730) is N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine.
What is the SMILES notation for N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine?
The canonical SMILES for N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine is CNC(C=C(C)C)c1ncccn1.
What is the InChIKey of N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine?
The InChIKey is FNPNUAQYSLJOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(2)7-9(11-3)10-12-5-4-6-13-10/h4-7,9,11H,1-3H3.
What are the key properties of N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine?
N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine is sourced from PubChem (CID 79190730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).