ethane;2-methyl-1H-pyrimidin-6-one

C7H12N2O — CID 90760122

IUPACethane;2-methyl-1H-pyrimidin-6-one
SMILESCC.Cc1nccc(=O)[nH]1
InChIInChI=1S/C5H6N2O.C2H6/c1-4-6-3-2-5(8)7-4;1-2/h2-3H,1H3,(H,6,7,8);1-2H3
InChIKeyOZRVMSKLHBJUOT-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.10
Rot. Bonds

About ethane;2-methyl-1H-pyrimidin-6-one

ethane;2-methyl-1H-pyrimidin-6-one (PubChem CID 90760122) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is ethane;2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;2-methyl-1H-pyrimidin-6-one
PubChem CID90760122
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Nameethane;2-methyl-1H-pyrimidin-6-one
SMILESCC.Cc1nccc(=O)[nH]1
InChIInChI=1S/C5H6N2O.C2H6/c1-4-6-3-2-5(8)7-4;1-2/h2-3H,1H3,(H,6,7,8);1-2H3
InChIKeyOZRVMSKLHBJUOT-UHFFFAOYSA-N
XLogP1.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-pyrimidin-6-one?
The IUPAC name of ethane;2-methyl-1H-pyrimidin-6-one (CID 90760122) is ethane;2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for ethane;2-methyl-1H-pyrimidin-6-one is CC.Cc1nccc(=O)[nH]1.
What is the InChIKey of ethane;2-methyl-1H-pyrimidin-6-one?
The InChIKey is OZRVMSKLHBJUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C2H6/c1-4-6-3-2-5(8)7-4;1-2/h2-3H,1H3,(H,6,7,8);1-2H3.
What are the key properties of ethane;2-methyl-1H-pyrimidin-6-one?
ethane;2-methyl-1H-pyrimidin-6-one has a molecular weight of 140.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 90760122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).