1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine

C11H17N3O — CID 102950904

IUPAC1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine
SMILESC=C(C)CC(NC)c1cc(OC)ncn1
InChIInChI=1S/C11H17N3O/c1-8(2)5-9(12-3)10-6-11(15-4)14-7-13-10/h6-7,9,12H,1,5H2,2-4H3
InChIKeyKUHXVGYVDYHYTI-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.71
Rot. Bonds5

About 1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine

1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine (PubChem CID 102950904) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine
PubChem CID102950904
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine
SMILESC=C(C)CC(NC)c1cc(OC)ncn1
InChIInChI=1S/C11H17N3O/c1-8(2)5-9(12-3)10-6-11(15-4)14-7-13-10/h6-7,9,12H,1,5H2,2-4H3
InChIKeyKUHXVGYVDYHYTI-UHFFFAOYSA-N
XLogP1.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine (CID 102950904) is 1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine is C=C(C)CC(NC)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine?
The InChIKey is KUHXVGYVDYHYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)5-9(12-3)10-6-11(15-4)14-7-13-10/h6-7,9,12H,1,5H2,2-4H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine?
1-(6-methoxypyrimidin-4-yl)-N,3-dimethylbut-3-en-1-amine has a molecular weight of 207.28 g/mol, XLogP of 1.71, 5 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)-N,3-dimethylbut-3-en-1-amine is sourced from PubChem (CID 102950904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).