2-propyl-1H-pyrimidin-6-one

C7H10N2O — CID 21444390

IUPAC2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nccc(=O)[nH]1
InChIInChI=1S/C7H10N2O/c1-2-3-6-8-5-4-7(10)9-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyUSBRWLQHTGAEIN-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.72
Rot. Bonds2

About 2-propyl-1H-pyrimidin-6-one

2-propyl-1H-pyrimidin-6-one (PubChem CID 21444390) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propyl-1H-pyrimidin-6-one
PubChem CID21444390
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nccc(=O)[nH]1
InChIInChI=1S/C7H10N2O/c1-2-3-6-8-5-4-7(10)9-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyUSBRWLQHTGAEIN-UHFFFAOYSA-N
XLogP0.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-1,4-dihydropyrimidin-4-one
CID 250451
2-Tert-butyl-3,4-dihydropyrimidin-4-one
CID 12258917
2-(Propan-2-yl)pyrimidin-4-ol
CID 12440895
2-Cyclopropylpyrimidin-4-ol
CID 20504164
2-Methylpyrimidin-4-ol hydrochloride
CID 119106306
2-(Aminomethyl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 122360074
2-Fluoromethylpyrimidin-4(3h)-one
CID 19748096
2-Cyclobutylpyrimidin-4-ol
CID 45787579
2-ethyl-3H-pyrimidin-4-one
CID 295880
2-(2-Aminoethyl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137946049
2-(4-Hydroxypyrimidin-2-YL)ethanamine
CID 18768454
4(3H)-Pyrimidinone, 2-(1,1-difluoroethyl)-
CID 22180793

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-propyl-1H-pyrimidin-6-one (CID 21444390) is 2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-propyl-1H-pyrimidin-6-one is CCCc1nccc(=O)[nH]1.
What is the InChIKey of 2-propyl-1H-pyrimidin-6-one?
The InChIKey is USBRWLQHTGAEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-6-8-5-4-7(10)9-6/h4-5H,2-3H2,1H3,(H,8,9,10).
What are the key properties of 2-propyl-1H-pyrimidin-6-one?
2-propyl-1H-pyrimidin-6-one has a molecular weight of 138.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 21444390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).