4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine

C11H16N2 — CID 166689061

IUPAC4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine
SMILESC=C(C)C1=C(CC)N=CN(C)C1=C
InChIInChI=1S/C11H16N2/c1-6-10-11(8(2)3)9(4)13(5)7-12-10/h7H,2,4,6H2,1,3,5H3
InChIKeyNAYLYLSINSPXBD-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.71
Rot. Bonds2

About 4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine

4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine (PubChem CID 166689061) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine
PubChem CID166689061
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine
SMILESC=C(C)C1=C(CC)N=CN(C)C1=C
InChIInChI=1S/C11H16N2/c1-6-10-11(8(2)3)9(4)13(5)7-12-10/h7H,2,4,6H2,1,3,5H3
InChIKeyNAYLYLSINSPXBD-UHFFFAOYSA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine 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 4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine?
The IUPAC name of 4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine (CID 166689061) is 4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine.
What is the SMILES notation for 4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine?
The canonical SMILES for 4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine is C=C(C)C1=C(CC)N=CN(C)C1=C.
What is the InChIKey of 4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine?
The InChIKey is NAYLYLSINSPXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-6-10-11(8(2)3)9(4)13(5)7-12-10/h7H,2,4,6H2,1,3,5H3.
What are the key properties of 4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine?
4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine has a molecular weight of 176.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine is sourced from PubChem (CID 166689061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).