2,3-dimethyl-4,5-dihydropyrimidin-6-one

C6H10N2O — CID 21341299

IUPAC2,3-dimethyl-4,5-dihydropyrimidin-6-one
SMILESCC1=NC(=O)CCN1C
InChIInChI=1S/C6H10N2O/c1-5-7-6(9)3-4-8(5)2/h3-4H2,1-2H3
InChIKeyHMPFNIMBMADHSD-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.27
Rot. Bonds

About 2,3-dimethyl-4,5-dihydropyrimidin-6-one

2,3-dimethyl-4,5-dihydropyrimidin-6-one (PubChem CID 21341299) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2,3-dimethyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2,3-dimethyl-4,5-dihydropyrimidin-6-one
PubChem CID21341299
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2,3-dimethyl-4,5-dihydropyrimidin-6-one
SMILESCC1=NC(=O)CCN1C
InChIInChI=1S/C6H10N2O/c1-5-7-6(9)3-4-8(5)2/h3-4H2,1-2H3
InChIKeyHMPFNIMBMADHSD-UHFFFAOYSA-N
XLogP0.27
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 2,3-dimethyl-4,5-dihydropyrimidin-6-one (CID 21341299) is 2,3-dimethyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2,3-dimethyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 2,3-dimethyl-4,5-dihydropyrimidin-6-one is CC1=NC(=O)CCN1C.
What is the InChIKey of 2,3-dimethyl-4,5-dihydropyrimidin-6-one?
The InChIKey is HMPFNIMBMADHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-7-6(9)3-4-8(5)2/h3-4H2,1-2H3.
What are the key properties of 2,3-dimethyl-4,5-dihydropyrimidin-6-one?
2,3-dimethyl-4,5-dihydropyrimidin-6-one has a molecular weight of 126.16 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 21341299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).