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

C10H20N2O — CID 168925571

IUPAC2,5-dimethyl-1H-pyrimidin-6-one;ethane
SMILESCC.CC.Cc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C6H8N2O.2C2H6/c1-4-3-7-5(2)8-6(4)9;2*1-2/h3H,1-2H3,(H,7,8,9);2*1-2H3
InChIKeyPBGHKSKJNXMAJE-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.44
Rot. Bonds

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

2,5-dimethyl-1H-pyrimidin-6-one;ethane (PubChem CID 168925571) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,5-dimethyl-1H-pyrimidin-6-one;ethane.

Molecular Properties

Compound Name2,5-dimethyl-1H-pyrimidin-6-one;ethane
PubChem CID168925571
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2,5-dimethyl-1H-pyrimidin-6-one;ethane
SMILESCC.CC.Cc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C6H8N2O.2C2H6/c1-4-3-7-5(2)8-6(4)9;2*1-2/h3H,1-2H3,(H,7,8,9);2*1-2H3
InChIKeyPBGHKSKJNXMAJE-UHFFFAOYSA-N
XLogP2.44
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.44
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?
The IUPAC name of 2,5-dimethyl-1H-pyrimidin-6-one;ethane (CID 168925571) is 2,5-dimethyl-1H-pyrimidin-6-one;ethane.
What is the SMILES notation for 2,5-dimethyl-1H-pyrimidin-6-one;ethane?
The canonical SMILES for 2,5-dimethyl-1H-pyrimidin-6-one;ethane is CC.CC.Cc1ncc(C)c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-1H-pyrimidin-6-one;ethane?
The InChIKey is PBGHKSKJNXMAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.2C2H6/c1-4-3-7-5(2)8-6(4)9;2*1-2/h3H,1-2H3,(H,7,8,9);2*1-2H3.
What are the key properties of 2,5-dimethyl-1H-pyrimidin-6-one;ethane?
2,5-dimethyl-1H-pyrimidin-6-one;ethane has a molecular weight of 184.28 g/mol, XLogP of 2.44, 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 is sourced from PubChem (CID 168925571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).