2-methyl-4,5-dihydro-1H-pyrimidin-6-one

C5H8N2O — CID 19432054

IUPAC2-methyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1=NCCC(=O)N1
InChIInChI=1S/C5H8N2O/c1-4-6-3-2-5(8)7-4/h2-3H2,1H3,(H,6,7,8)
InChIKeyYJWIQRSUKPXZMI-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.08
Rot. Bonds

About 2-methyl-4,5-dihydro-1H-pyrimidin-6-one

2-methyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 19432054) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID19432054
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-methyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1=NCCC(=O)N1
InChIInChI=1S/C5H8N2O/c1-4-6-3-2-5(8)7-4/h2-3H2,1H3,(H,6,7,8)
InChIKeyYJWIQRSUKPXZMI-UHFFFAOYSA-N
XLogP-0.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4,6-pyrimidinedione
CID 580924
2-Methyl-1,4-dihydropyrimidine-5,6-dione
CID 21139506
2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 25210504
5-fluoro-2-methyl-1H-pyrimidine-4,6-dione
CID 77520036
2-(2-Aminoethyl)-5-fluoro-1,4,5,6-tetrahydropyrimidine-4,6-dione
CID 80550490
5-fluoro-2-[2-(methylamino)ethyl]-1H-pyrimidine-4,6-dione
CID 80550862
1,2-Dimethyl-4,5-dihydropyrimidin-6-one
CID 20707762
1-Ethyl-2-methyl-4,5-dihydropyrimidin-6-one
CID 21720732
3-(Ethylamino)-3-ethyliminopropanamide
CID 22056443
2-(1,4,5,6-Tetrahydropyrimidin-2-yl)acetamide
CID 22056455
2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 22084610
2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 22898627

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4,5-dihydro-1H-pyrimidin-6-one (CID 19432054) is 2-methyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4,5-dihydro-1H-pyrimidin-6-one is CC1=NCCC(=O)N1.
What is the InChIKey of 2-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is YJWIQRSUKPXZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-6-3-2-5(8)7-4/h2-3H2,1H3,(H,6,7,8).
What are the key properties of 2-methyl-4,5-dihydro-1H-pyrimidin-6-one?
2-methyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 112.13 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 19432054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).