2,4-dimethyl-5-propyl-1H-pyrimidin-6-one

C9H14N2O — CID 135947870

IUPAC2,4-dimethyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-4-5-8-6(2)10-7(3)11-9(8)12/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyCICZHYSLXZILHP-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.34
Rot. Bonds2

About 2,4-dimethyl-5-propyl-1H-pyrimidin-6-one

2,4-dimethyl-5-propyl-1H-pyrimidin-6-one (PubChem CID 135947870) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,4-dimethyl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-propyl-1H-pyrimidin-6-one
PubChem CID135947870
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,4-dimethyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-4-5-8-6(2)10-7(3)11-9(8)12/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyCICZHYSLXZILHP-UHFFFAOYSA-N
XLogP1.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4(3H)-Quinazolinone, 5,6,7,8-tetrahydro-2-methyl-
CID 135431271
5-Allyl-2,6-dimethyl-4-pyrimidinol
CID 135447922
4-Pyrimidinol, 5-decyl-2,6-dimethyl-
CID 135509307
4-Pyrimidinol, 6-amino-5-butyl-2-methyl-
CID 135854955
4-Pyrimidinol, 6-amino-2-methyl-5-propyl-
CID 135854961
2-(2-aminopropan-2-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136103413
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-hydroxypropanamide
CID 136218726
2-cyclopropyl-3H,4H,5H,6H,7H-cyclopenta(d)pyrimidin-4-one
CID 136209770
2-n-Butyl-5,6-dimethylpyrimidin-4(3H)-one
CID 135625454
2-propyl-5,6,7,8-tetrahydro-4(3H)-quinazolinone
CID 136114047
5-Butyl-2,4-dimethyl-1,6-dihydropyrimidin-6-one
CID 137313605
2-Amino-6-methyl-5-propylpyrimidin-4-ol
CID 135464007

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-propyl-1H-pyrimidin-6-one (CID 135947870) is 2,4-dimethyl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-propyl-1H-pyrimidin-6-one is CCCc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 2,4-dimethyl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is CICZHYSLXZILHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-5-8-6(2)10-7(3)11-9(8)12/h4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 2,4-dimethyl-5-propyl-1H-pyrimidin-6-one?
2,4-dimethyl-5-propyl-1H-pyrimidin-6-one has a molecular weight of 166.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135947870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).