1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine

C9H13N3 — CID 174326657

IUPAC1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine
SMILESC=C(N)C1=C(C)C(=C)NC(C)=N1
InChIInChI=1S/C9H13N3/c1-5-7(3)11-8(4)12-9(5)6(2)10/h2-3,10H2,1,4H3,(H,11,12)
InChIKeyCTCWPCQDVWXFIS-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.27
Rot. Bonds1

About 1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine

1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine (PubChem CID 174326657) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine
PubChem CID174326657
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine
SMILESC=C(N)C1=C(C)C(=C)NC(C)=N1
InChIInChI=1S/C9H13N3/c1-5-7(3)11-8(4)12-9(5)6(2)10/h2-3,10H2,1,4H3,(H,11,12)
InChIKeyCTCWPCQDVWXFIS-UHFFFAOYSA-N
XLogP1.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine?
The IUPAC name of 1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine (CID 174326657) is 1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine.
What is the SMILES notation for 1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine?
The canonical SMILES for 1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine is C=C(N)C1=C(C)C(=C)NC(C)=N1.
What is the InChIKey of 1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine?
The InChIKey is CTCWPCQDVWXFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-5-7(3)11-8(4)12-9(5)6(2)10/h2-3,10H2,1,4H3,(H,11,12).
What are the key properties of 1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine?
1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine has a molecular weight of 163.22 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine is sourced from PubChem (CID 174326657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).