N,3-dimethylpyrimidin-4-imine

C6H9N3 — CID 135258649

IUPACN,3-dimethylpyrimidin-4-imine
SMILESC/N=c1\ccncn1C
InChIInChI=1S/C6H9N3/c1-7-6-3-4-8-5-9(6)2/h3-5H,1-2H3/b7-6+
InChIKeyOLRJDYKRNVIUNN-VOTSOKGWSA-N
MW123.16 g/mol
LogP-0.05
Rot. Bonds

About N,3-dimethylpyrimidin-4-imine

N,3-dimethylpyrimidin-4-imine (PubChem CID 135258649) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N,3-dimethylpyrimidin-4-imine.

Molecular Properties

Compound NameN,3-dimethylpyrimidin-4-imine
PubChem CID135258649
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN,3-dimethylpyrimidin-4-imine
SMILESC/N=c1\ccncn1C
InChIInChI=1S/C6H9N3/c1-7-6-3-4-8-5-9(6)2/h3-5H,1-2H3/b7-6+
InChIKeyOLRJDYKRNVIUNN-VOTSOKGWSA-N
XLogP-0.05
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethylpyrimidin-4-imine?
The IUPAC name of N,3-dimethylpyrimidin-4-imine (CID 135258649) is N,3-dimethylpyrimidin-4-imine.
What is the SMILES notation for N,3-dimethylpyrimidin-4-imine?
The canonical SMILES for N,3-dimethylpyrimidin-4-imine is C/N=c1\ccncn1C.
What is the InChIKey of N,3-dimethylpyrimidin-4-imine?
The InChIKey is OLRJDYKRNVIUNN-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H9N3/c1-7-6-3-4-8-5-9(6)2/h3-5H,1-2H3/b7-6+.
What are the key properties of N,3-dimethylpyrimidin-4-imine?
N,3-dimethylpyrimidin-4-imine has a molecular weight of 123.16 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylpyrimidin-4-imine is sourced from PubChem (CID 135258649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).