5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one

C7H12N4O — CID 70593687

IUPAC5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one
SMILESCN(C)c1ncc(N)c(=O)n1C
InChIInChI=1S/C7H12N4O/c1-10(2)7-9-4-5(8)6(12)11(7)3/h4H,8H2,1-3H3
InChIKeyKEFQPWUKTOBXPR-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.57
Rot. Bonds1

About 5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one

5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one (PubChem CID 70593687) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one
PubChem CID70593687
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one
SMILESCN(C)c1ncc(N)c(=O)n1C
InChIInChI=1S/C7H12N4O/c1-10(2)7-9-4-5(8)6(12)11(7)3/h4H,8H2,1-3H3
InChIKeyKEFQPWUKTOBXPR-UHFFFAOYSA-N
XLogP-0.57
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one (CID 70593687) is 5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one is CN(C)c1ncc(N)c(=O)n1C.
What is the InChIKey of 5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one?
The InChIKey is KEFQPWUKTOBXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-10(2)7-9-4-5(8)6(12)11(7)3/h4H,8H2,1-3H3.
What are the key properties of 5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one?
5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 70593687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).