5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine

C9H13N3 — CID 146659525

IUPAC5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine
SMILESC=CC1=C(NC)N=C(C)NC1=C
InChIInChI=1S/C9H13N3/c1-5-8-6(2)11-7(3)12-9(8)10-4/h5,10H,1-2H2,3-4H3,(H,11,12)
InChIKeyALDJYEZBTJVULX-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.14
Rot. Bonds2

About 5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine

5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine (PubChem CID 146659525) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine
PubChem CID146659525
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine
SMILESC=CC1=C(NC)N=C(C)NC1=C
InChIInChI=1S/C9H13N3/c1-5-8-6(2)11-7(3)12-9(8)10-4/h5,10H,1-2H2,3-4H3,(H,11,12)
InChIKeyALDJYEZBTJVULX-UHFFFAOYSA-N
XLogP1.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethenyl-6-methylidene-1H-pyrimidin-2-yl)methyl]butan-1-amine
CID 90202108
N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide
CID 91266873
N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide
CID 143760127
2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine
CID 145287245

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine?
The IUPAC name of 5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine (CID 146659525) is 5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine.
What is the SMILES notation for 5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine?
The canonical SMILES for 5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine is C=CC1=C(NC)N=C(C)NC1=C.
What is the InChIKey of 5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine?
The InChIKey is ALDJYEZBTJVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-5-8-6(2)11-7(3)12-9(8)10-4/h5,10H,1-2H2,3-4H3,(H,11,12).
What are the key properties of 5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine?
5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine has a molecular weight of 163.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine is sourced from PubChem (CID 146659525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).