2-(dimethylamino)-3-ethylpyrimidin-4-one

C8H13N3O — CID 154489306

IUPAC2-(dimethylamino)-3-ethylpyrimidin-4-one
SMILESCCn1c(N(C)C)nccc1=O
InChIInChI=1S/C8H13N3O/c1-4-11-7(12)5-6-9-8(11)10(2)3/h5-6H,4H2,1-3H3
InChIKeyNQHIXIYXBLGKAQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.33
Rot. Bonds2

About 2-(dimethylamino)-3-ethylpyrimidin-4-one

2-(dimethylamino)-3-ethylpyrimidin-4-one (PubChem CID 154489306) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(dimethylamino)-3-ethylpyrimidin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-3-ethylpyrimidin-4-one
PubChem CID154489306
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(dimethylamino)-3-ethylpyrimidin-4-one
SMILESCCn1c(N(C)C)nccc1=O
InChIInChI=1S/C8H13N3O/c1-4-11-7(12)5-6-9-8(11)10(2)3/h5-6H,4H2,1-3H3
InChIKeyNQHIXIYXBLGKAQ-UHFFFAOYSA-N
XLogP0.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-ethylpyrimidin-4-one?
The IUPAC name of 2-(dimethylamino)-3-ethylpyrimidin-4-one (CID 154489306) is 2-(dimethylamino)-3-ethylpyrimidin-4-one.
What is the SMILES notation for 2-(dimethylamino)-3-ethylpyrimidin-4-one?
The canonical SMILES for 2-(dimethylamino)-3-ethylpyrimidin-4-one is CCn1c(N(C)C)nccc1=O.
What is the InChIKey of 2-(dimethylamino)-3-ethylpyrimidin-4-one?
The InChIKey is NQHIXIYXBLGKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-11-7(12)5-6-9-8(11)10(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 2-(dimethylamino)-3-ethylpyrimidin-4-one?
2-(dimethylamino)-3-ethylpyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-ethylpyrimidin-4-one is sourced from PubChem (CID 154489306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).