1,2-dimethylpyrimidin-4-imine

C6H9N3 — CID 123181535

IUPAC1,2-dimethylpyrimidin-4-imine
SMILES[H]/N=c1\ccn(C)c(C)n1
InChIInChI=1S/C6H9N3/c1-5-8-6(7)3-4-9(5)2/h3-4,7H,1-2H3/b7-6+
InChIKeyRQOQRWVVBWJEQC-VOTSOKGWSA-N
MW123.16 g/mol
LogP0.21
Rot. Bonds

About 1,2-dimethylpyrimidin-4-imine

1,2-dimethylpyrimidin-4-imine (PubChem CID 123181535) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1,2-dimethylpyrimidin-4-imine.

Molecular Properties

Compound Name1,2-dimethylpyrimidin-4-imine
PubChem CID123181535
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1,2-dimethylpyrimidin-4-imine
SMILES[H]/N=c1\ccn(C)c(C)n1
InChIInChI=1S/C6H9N3/c1-5-8-6(7)3-4-9(5)2/h3-4,7H,1-2H3/b7-6+
InChIKeyRQOQRWVVBWJEQC-VOTSOKGWSA-N
XLogP0.21
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrimidin-4-imine?
The IUPAC name of 1,2-dimethylpyrimidin-4-imine (CID 123181535) is 1,2-dimethylpyrimidin-4-imine.
What is the SMILES notation for 1,2-dimethylpyrimidin-4-imine?
The canonical SMILES for 1,2-dimethylpyrimidin-4-imine is [H]/N=c1\ccn(C)c(C)n1.
What is the InChIKey of 1,2-dimethylpyrimidin-4-imine?
The InChIKey is RQOQRWVVBWJEQC-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H9N3/c1-5-8-6(7)3-4-9(5)2/h3-4,7H,1-2H3/b7-6+.
What are the key properties of 1,2-dimethylpyrimidin-4-imine?
1,2-dimethylpyrimidin-4-imine has a molecular weight of 123.16 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrimidin-4-imine is sourced from PubChem (CID 123181535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).