(3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine

C10H15N3 — CID 174246762

IUPAC(3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine
SMILESC=C(N)/C(=C/C)C1=CN=CN(C)C1
InChIInChI=1S/C10H15N3/c1-4-10(8(2)11)9-5-12-7-13(3)6-9/h4-5,7H,2,6,11H2,1,3H3/b10-4-
InChIKeyKPBVOXSNPYEDCW-WMZJFQQLSA-N
MW177.25 g/mol
LogP1.26
Rot. Bonds2

About (3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine

(3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine (PubChem CID 174246762) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine
PubChem CID174246762
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine
SMILESC=C(N)/C(=C/C)C1=CN=CN(C)C1
InChIInChI=1S/C10H15N3/c1-4-10(8(2)11)9-5-12-7-13(3)6-9/h4-5,7H,2,6,11H2,1,3H3/b10-4-
InChIKeyKPBVOXSNPYEDCW-WMZJFQQLSA-N
XLogP1.26
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-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 (3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine?
The IUPAC name of (3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine (CID 174246762) is (3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine is C=C(N)/C(=C/C)C1=CN=CN(C)C1.
What is the InChIKey of (3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine?
The InChIKey is KPBVOXSNPYEDCW-WMZJFQQLSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-10(8(2)11)9-5-12-7-13(3)6-9/h4-5,7H,2,6,11H2,1,3H3/b10-4-.
What are the key properties of (3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine?
(3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine has a molecular weight of 177.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine is sourced from PubChem (CID 174246762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).