ethane;2,4,5-trimethyl-1H-pyrimidin-6-one

C9H16N2O — CID 143915849

IUPACethane;2,4,5-trimethyl-1H-pyrimidin-6-one
SMILESCC.Cc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O.C2H6/c1-4-5(2)8-6(3)9-7(4)10;1-2/h1-3H3,(H,8,9,10);1-2H3
InChIKeyPZTYWHPZZJYTQZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.72
Rot. Bonds

About ethane;2,4,5-trimethyl-1H-pyrimidin-6-one

ethane;2,4,5-trimethyl-1H-pyrimidin-6-one (PubChem CID 143915849) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;2,4,5-trimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;2,4,5-trimethyl-1H-pyrimidin-6-one
PubChem CID143915849
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethane;2,4,5-trimethyl-1H-pyrimidin-6-one
SMILESCC.Cc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O.C2H6/c1-4-5(2)8-6(3)9-7(4)10;1-2/h1-3H3,(H,8,9,10);1-2H3
InChIKeyPZTYWHPZZJYTQZ-UHFFFAOYSA-N
XLogP1.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Isopropyl-6-methyl-4-pyrimidinol
CID 135444498
4-Pyrimidinol, 6-amino-2,5-dimethyl-
CID 135592941
2-(2-Aminobutan-2-yl)-5,6-dimethyl-1,4-dihydropyrimidin-4-one
CID 135962919
2-Ethyl-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
CID 135909901
2,5,6-Trimethylpyrimidin-4-ol
CID 135591004
2-n-Butyl-5,6-dimethylpyrimidin-4(3H)-one
CID 135625454
2-(2-aminopropan-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136078051
2-(2-aminopropan-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136103407
2,5-Dimethyl-6-trifluoromethyl-pyrimidin-4-OL
CID 135588819
2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135852938
2-ethyl-5-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136393861
4-ethyl-2-methyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 141520865

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,5-trimethyl-1H-pyrimidin-6-one?
The IUPAC name of ethane;2,4,5-trimethyl-1H-pyrimidin-6-one (CID 143915849) is ethane;2,4,5-trimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;2,4,5-trimethyl-1H-pyrimidin-6-one?
The canonical SMILES for ethane;2,4,5-trimethyl-1H-pyrimidin-6-one is CC.Cc1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of ethane;2,4,5-trimethyl-1H-pyrimidin-6-one?
The InChIKey is PZTYWHPZZJYTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C2H6/c1-4-5(2)8-6(3)9-7(4)10;1-2/h1-3H3,(H,8,9,10);1-2H3.
What are the key properties of ethane;2,4,5-trimethyl-1H-pyrimidin-6-one?
ethane;2,4,5-trimethyl-1H-pyrimidin-6-one has a molecular weight of 168.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,5-trimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 143915849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).