1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine

C10H15N3O — CID 102950573

IUPAC1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)c1cc(OC)ncn1
InChIInChI=1S/C10H15N3O/c1-7(2)4-8(11)9-5-10(14-3)13-6-12-9/h5-6,8H,1,4,11H2,2-3H3
InChIKeyXWMXUQOWINHFSI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.45
Rot. Bonds4

About 1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine

1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine (PubChem CID 102950573) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine
PubChem CID102950573
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)c1cc(OC)ncn1
InChIInChI=1S/C10H15N3O/c1-7(2)4-8(11)9-5-10(14-3)13-6-12-9/h5-6,8H,1,4,11H2,2-3H3
InChIKeyXWMXUQOWINHFSI-UHFFFAOYSA-N
XLogP1.45
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-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 1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine (CID 102950573) is 1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine is C=C(C)CC(N)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine?
The InChIKey is XWMXUQOWINHFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)4-8(11)9-5-10(14-3)13-6-12-9/h5-6,8H,1,4,11H2,2-3H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine?
1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine has a molecular weight of 193.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 102950573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).