2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen

C10H22N2O — CID 168925529

IUPAC2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen
SMILESCC.CC.Cc1ncc(C)c(=O)[nH]1.[H][H]
InChIInChI=1S/C6H8N2O.2C2H6.H2/c1-4-3-7-5(2)8-6(4)9;2*1-2;/h3H,1-2H3,(H,7,8,9);2*1-2H3;1H
InChIKeySPLGROUAKXFSIZ-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.69
Rot. Bonds

About 2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen

2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen (PubChem CID 168925529) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen.

Molecular Properties

Compound Name2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen
PubChem CID168925529
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen
SMILESCC.CC.Cc1ncc(C)c(=O)[nH]1.[H][H]
InChIInChI=1S/C6H8N2O.2C2H6.H2/c1-4-3-7-5(2)8-6(4)9;2*1-2;/h3H,1-2H3,(H,7,8,9);2*1-2H3;1H
InChIKeySPLGROUAKXFSIZ-UHFFFAOYSA-N
XLogP2.69
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Pyrimidinol, 6-amino-2,5-dimethyl-
CID 135592941
5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
4-Hydroxy-2-methylpyrimidine-5-carbonitrile
CID 262084
2-(Fluoromethyl)-5-methylpyrimidin-4(3H)-one
CID 22947838
2-Methyl-5-(trifluoromethyl)pyrimidin-4-ol
CID 54003329
5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one
CID 67476784
5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
4-amino-5-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one
CID 137297951
5-methyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162577680
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen?
The IUPAC name of 2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen (CID 168925529) is 2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen.
What is the SMILES notation for 2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen?
The canonical SMILES for 2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen is CC.CC.Cc1ncc(C)c(=O)[nH]1.[H][H].
What is the InChIKey of 2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen?
The InChIKey is SPLGROUAKXFSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.2C2H6.H2/c1-4-3-7-5(2)8-6(4)9;2*1-2;/h3H,1-2H3,(H,7,8,9);2*1-2H3;1H.
What are the key properties of 2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen?
2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen has a molecular weight of 186.30 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-pyrimidin-6-one;ethane;molecular hydrogen is sourced from PubChem (CID 168925529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).