2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile

C8H10N4 — CID 86181023

IUPAC2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile
SMILES[H]/N=c1\nc(C)c(C#N)c(C)n1C
InChIInChI=1S/C8H10N4/c1-5-7(4-9)6(2)12(3)8(10)11-5/h10H,1-3H3/b10-8+
InChIKeyOUNJLZKYRUBOJX-CSKARUKUSA-N
MW162.20 g/mol
LogP0.39
Rot. Bonds

About 2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile

2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile (PubChem CID 86181023) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile
PubChem CID86181023
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile
SMILES[H]/N=c1\nc(C)c(C#N)c(C)n1C
InChIInChI=1S/C8H10N4/c1-5-7(4-9)6(2)12(3)8(10)11-5/h10H,1-3H3/b10-8+
InChIKeyOUNJLZKYRUBOJX-CSKARUKUSA-N
XLogP0.39
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile?
The IUPAC name of 2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile (CID 86181023) is 2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile is [H]/N=c1\nc(C)c(C#N)c(C)n1C.
What is the InChIKey of 2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile?
The InChIKey is OUNJLZKYRUBOJX-CSKARUKUSA-N. The full InChI is InChI=1S/C8H10N4/c1-5-7(4-9)6(2)12(3)8(10)11-5/h10H,1-3H3/b10-8+.
What are the key properties of 2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile?
2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile has a molecular weight of 162.20 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1,4,6-trimethylpyrimidine-5-carbonitrile is sourced from PubChem (CID 86181023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).