4,6-dimethyl-1-propylpyrimidin-2-one

C9H14N2O — CID 12795361

IUPAC4,6-dimethyl-1-propylpyrimidin-2-one
SMILESCCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C9H14N2O/c1-4-5-11-8(3)6-7(2)10-9(11)12/h6H,4-5H2,1-3H3
InChIKeyRIBMTBHJCIEGOV-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.27
Rot. Bonds2

About 4,6-dimethyl-1-propylpyrimidin-2-one

4,6-dimethyl-1-propylpyrimidin-2-one (PubChem CID 12795361) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4,6-dimethyl-1-propylpyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-propylpyrimidin-2-one
PubChem CID12795361
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4,6-dimethyl-1-propylpyrimidin-2-one
SMILESCCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C9H14N2O/c1-4-5-11-8(3)6-7(2)10-9(11)12/h6H,4-5H2,1-3H3
InChIKeyRIBMTBHJCIEGOV-UHFFFAOYSA-N
XLogP1.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,6-trimethylpyrimidin-2(1H)-one
CID 853977
1-ethyl-4,6-dimethyl-2(1H)-pyrimidinone
CID 1711493
1,4,6-Trimethyl-2-pyrimidone hydrochloride
CID 24213361
1-(3-Hydroxypropyl)-4,6-dimethyl-2-oxopyrimidine
CID 43509825
1-Butyl-4,6-dimethyl-2-oxopyrimidine
CID 175647238
3-Methyl-6,7-dihydropyrrolo[1,2-c]pyrimidin-1(5h)-one
CID 281647
6-Methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25169675
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746310
2-[(4,6-Dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 113807717
1-(2-aminoethyl)-4,6-dimethylpyrimidin-2(1H)-one
CID 1511764
1,2,4,6-tetramethyl-2H-pyrimidine
CID 407923
1,3,4,6-Tetramethylpyrimidin-1-ium-2-one
CID 853470

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-propylpyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-propylpyrimidin-2-one (CID 12795361) is 4,6-dimethyl-1-propylpyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-propylpyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-propylpyrimidin-2-one is CCCn1c(C)cc(C)nc1=O.
What is the InChIKey of 4,6-dimethyl-1-propylpyrimidin-2-one?
The InChIKey is RIBMTBHJCIEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-5-11-8(3)6-7(2)10-9(11)12/h6H,4-5H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-propylpyrimidin-2-one?
4,6-dimethyl-1-propylpyrimidin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-propylpyrimidin-2-one is sourced from PubChem (CID 12795361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).