3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile

C9H11N3 — CID 123978792

IUPAC3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile
SMILESC=C1N=C(C)C(C)=C(C#N)N1C
InChIInChI=1S/C9H11N3/c1-6-7(2)11-8(3)12(4)9(6)5-10/h3H2,1-2,4H3
InChIKeyIJHHXKKNTMLVSH-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.66
Rot. Bonds

About 3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile

3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile (PubChem CID 123978792) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile.

Molecular Properties

Compound Name3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile
PubChem CID123978792
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile
SMILESC=C1N=C(C)C(C)=C(C#N)N1C
InChIInChI=1S/C9H11N3/c1-6-7(2)11-8(3)12(4)9(6)5-10/h3H2,1-2,4H3
InChIKeyIJHHXKKNTMLVSH-UHFFFAOYSA-N
XLogP1.66
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-1,4,5,6-tetramethyl-2H-pyrimidine
CID 150466172
4-Ethyl-1,5,6-trimethyl-2-methylidenepyrimidine
CID 18731642
1,4,5,6-Tetramethyl-2-methylidenepyrimidine
CID 58719988
1,2,2,4,5,6-Hexamethylpyrimidine
CID 69907557
2,4,6-trimethyl-2H-pyrimidine-1,5-dicarbonitrile
CID 176177557

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile?
The IUPAC name of 3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile (CID 123978792) is 3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile.
What is the SMILES notation for 3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile?
The canonical SMILES for 3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile is C=C1N=C(C)C(C)=C(C#N)N1C.
What is the InChIKey of 3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile?
The InChIKey is IJHHXKKNTMLVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6-7(2)11-8(3)12(4)9(6)5-10/h3H2,1-2,4H3.
What are the key properties of 3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile?
3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-2-methylidenepyrimidine-4-carbonitrile is sourced from PubChem (CID 123978792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).