4-propyl-1H-pyrimidin-6-one

C7H10N2O — CID 135853033

IUPAC4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]cn1
InChIInChI=1S/C7H10N2O/c1-2-3-6-4-7(10)9-5-8-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyQQFOXWFPCYCCJS-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.72
Rot. Bonds2

About 4-propyl-1H-pyrimidin-6-one

4-propyl-1H-pyrimidin-6-one (PubChem CID 135853033) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-propyl-1H-pyrimidin-6-one
PubChem CID135853033
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]cn1
InChIInChI=1S/C7H10N2O/c1-2-3-6-4-7(10)9-5-8-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyQQFOXWFPCYCCJS-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

4(3H)-Pyrimidinone, 6-methyl-
CID 135431249
6-Cyclopropylpyrimidin-4-ol
CID 135668178
6-(Propan-2-yl)pyrimidin-4-ol
CID 135591005
2-Amino-6-propylpyrimidin-4-ol
CID 135556691
6-Cyclobutyl-3,4-dihydropyrimidin-4-one
CID 135934488
6-Tert-butyl-3,4-dihydropyrimidin-4-one
CID 135502019
6-Methyl-3,4-dihydropyrimidin-4-one hydrochloride
CID 137935517
2-(Methylamino)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135973622
6-(Cyclopropylmethyl)pyrimidin-4-ol
CID 137025538
6-Propyl-2-selenouracil
CID 135412657
6-Ethylpyrimidin-4-ol
CID 135407688
6-(1-Fluoroethyl)-4(1H)-pyrimidinone
CID 135471807

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-propyl-1H-pyrimidin-6-one (CID 135853033) is 4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]cn1.
What is the InChIKey of 4-propyl-1H-pyrimidin-6-one?
The InChIKey is QQFOXWFPCYCCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-6-4-7(10)9-5-8-6/h4-5H,2-3H2,1H3,(H,8,9,10).
What are the key properties of 4-propyl-1H-pyrimidin-6-one?
4-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 4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135853033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).