4-propan-2-yl-1H-pyrimidin-6-one

C7H10N2O — CID 135591005

IUPAC4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C7H10N2O/c1-5(2)6-3-7(10)9-4-8-6/h3-5H,1-2H3,(H,8,9,10)
InChIKeyZNWRDDRXQOKOLM-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.89
Rot. Bonds1

About 4-propan-2-yl-1H-pyrimidin-6-one

4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135591005) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135591005
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C7H10N2O/c1-5(2)6-3-7(10)9-4-8-6/h3-5H,1-2H3,(H,8,9,10)
InChIKeyZNWRDDRXQOKOLM-UHFFFAOYSA-N
XLogP0.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.89
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-Cyclobutyl-3,4-dihydropyrimidin-4-one
CID 135934488
6-Tert-butyl-3,4-dihydropyrimidin-4-one
CID 135502019
6-Propylpyrimidin-4-ol
CID 135853033
6-Ethyl-5-methyl-4(3H)-pyrimidinone
CID 135591009
6-Methyl-3,4-dihydropyrimidin-4-one hydrochloride
CID 137935517
6-(Cyclopropylmethyl)pyrimidin-4-ol
CID 137025538
6-Ethylpyrimidin-4-ol
CID 135407688
6-(1-Fluoroethyl)-4(1H)-pyrimidinone
CID 135471807
6-(1-Fluoro-1-methyl-ethyl)-3H-pyrimidin-4-one
CID 135627622
2-Amino-6-isopropylpyrimidin-4-ol
CID 135631208

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-propan-2-yl-1H-pyrimidin-6-one (CID 135591005) is 4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZNWRDDRXQOKOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5(2)6-3-7(10)9-4-8-6/h3-5H,1-2H3,(H,8,9,10).
What are the key properties of 4-propan-2-yl-1H-pyrimidin-6-one?
4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 138.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135591005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).