4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine

C9H13N3 — CID 13386653

IUPAC4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nc(C)cc(C)n1
InChIInChI=1S/C9H13N3/c1-4-5-10-9-11-7(2)6-8(3)12-9/h4,6H,1,5H2,2-3H3,(H,10,11,12)
InChIKeyVBBZYTHLXKGIES-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.69
Rot. Bonds3

About 4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine

4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine (PubChem CID 13386653) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine
PubChem CID13386653
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nc(C)cc(C)n1
InChIInChI=1S/C9H13N3/c1-4-5-10-9-11-7(2)6-8(3)12-9/h4,6H,1,5H2,2-3H3,(H,10,11,12)
InChIKeyVBBZYTHLXKGIES-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine (CID 13386653) is 4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine is C=CCNc1nc(C)cc(C)n1.
What is the InChIKey of 4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is VBBZYTHLXKGIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-5-10-9-11-7(2)6-8(3)12-9/h4,6H,1,5H2,2-3H3,(H,10,11,12).
What are the key properties of 4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine?
4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 163.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 13386653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).