1-methyl-2-propyl-4,5-dihydropyrimidin-6-one

C8H14N2O — CID 20707765

IUPAC1-methyl-2-propyl-4,5-dihydropyrimidin-6-one
SMILESCCCC1=NCCC(=O)N1C
InChIInChI=1S/C8H14N2O/c1-3-4-7-9-6-5-8(11)10(7)2/h3-6H2,1-2H3
InChIKeyHWQXLMVPBYZAQT-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.05
Rot. Bonds2

About 1-methyl-2-propyl-4,5-dihydropyrimidin-6-one

1-methyl-2-propyl-4,5-dihydropyrimidin-6-one (PubChem CID 20707765) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-methyl-2-propyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name1-methyl-2-propyl-4,5-dihydropyrimidin-6-one
PubChem CID20707765
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-methyl-2-propyl-4,5-dihydropyrimidin-6-one
SMILESCCCC1=NCCC(=O)N1C
InChIInChI=1S/C8H14N2O/c1-3-4-7-9-6-5-8(11)10(7)2/h3-6H2,1-2H3
InChIKeyHWQXLMVPBYZAQT-UHFFFAOYSA-N
XLogP1.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6424223
1,8-Diazabicyclo[5.4.0]undec-7-en-11-one
CID 6424532
1-(2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepin-5-ium-1-yl)ethanone
CID 135042300
N-(2-methoxy-1-methyl-6-oxopyrimidin-4-ylidene)acetamide
CID 145924398
1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
CID 12384565
1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
CID 20628308
3-(dimethylamino)-N-methyl-3-methylimino-N-propan-2-ylpropanamide
CID 20672147
1,2,4,5-Tetramethyl-4,5-dihydropyrimidin-6-one
CID 20695500
1,2-Dimethyl-4,5-dihydropyrimidin-6-one
CID 20707762
2,3-Dimethyl-4,5-dihydropyrimidin-6-one
CID 21341299
1-(2-Methyliminopiperidin-1-yl)ethanone
CID 21344836

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 1-methyl-2-propyl-4,5-dihydropyrimidin-6-one (CID 20707765) is 1-methyl-2-propyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 1-methyl-2-propyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 1-methyl-2-propyl-4,5-dihydropyrimidin-6-one is CCCC1=NCCC(=O)N1C.
What is the InChIKey of 1-methyl-2-propyl-4,5-dihydropyrimidin-6-one?
The InChIKey is HWQXLMVPBYZAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-7-9-6-5-8(11)10(7)2/h3-6H2,1-2H3.
What are the key properties of 1-methyl-2-propyl-4,5-dihydropyrimidin-6-one?
1-methyl-2-propyl-4,5-dihydropyrimidin-6-one has a molecular weight of 154.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 20707765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).