ethane;5-methyl-5H-pyrimidine-2,4-dione

C7H12N2O2 — CID 145043205

IUPACethane;5-methyl-5H-pyrimidine-2,4-dione
SMILESCC.CC1C=NC(=O)NC1=O
InChIInChI=1S/C5H6N2O2.C2H6/c1-3-2-6-5(9)7-4(3)8;1-2/h2-3H,1H3,(H,7,8,9);1-2H3
InChIKeyJTCRETUWABISHO-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.97
Rot. Bonds

About ethane;5-methyl-5H-pyrimidine-2,4-dione

ethane;5-methyl-5H-pyrimidine-2,4-dione (PubChem CID 145043205) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethane;5-methyl-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Nameethane;5-methyl-5H-pyrimidine-2,4-dione
PubChem CID145043205
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Nameethane;5-methyl-5H-pyrimidine-2,4-dione
SMILESCC.CC1C=NC(=O)NC1=O
InChIInChI=1S/C5H6N2O2.C2H6/c1-3-2-6-5(9)7-4(3)8;1-2/h2-3H,1H3,(H,7,8,9);1-2H3
InChIKeyJTCRETUWABISHO-UHFFFAOYSA-N
XLogP0.97
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrimidine-2,4(3H,5H)-dione
CID 15646795
5-methyl-5H-pyrimidine-2,4-dione
CID 15218620
5-Fluoro-2,4(3H,5H)-pyrimidinedione
CID 24870864
5-Fluoro-5-methyluracil
CID 4540465
(5S)-5-methyl-5H-pyrimidine-2,4-dione
CID 98455950
N-carbamoyl-3-imino-2-methylpropanamide
CID 91173470
(5R)-5-fluoro-5-methylpyrimidine-2,4-dione
CID 7032788
(5S)-5-fluoro-5-methylpyrimidine-2,4-dione
CID 7032789
5-(Trifluoromethyl)pyrimidine-2,4(3H,5H)-dione
CID 46735517
(5R)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione
CID 98155753
(5S)-5-(trifluoromethyl)-5H-pyrimidine-2,4-dione
CID 98155754
5,5-Dimethylpyrimidine-2,4-dione
CID 23513456

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-5H-pyrimidine-2,4-dione?
The IUPAC name of ethane;5-methyl-5H-pyrimidine-2,4-dione (CID 145043205) is ethane;5-methyl-5H-pyrimidine-2,4-dione.
What is the SMILES notation for ethane;5-methyl-5H-pyrimidine-2,4-dione?
The canonical SMILES for ethane;5-methyl-5H-pyrimidine-2,4-dione is CC.CC1C=NC(=O)NC1=O.
What is the InChIKey of ethane;5-methyl-5H-pyrimidine-2,4-dione?
The InChIKey is JTCRETUWABISHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C2H6/c1-3-2-6-5(9)7-4(3)8;1-2/h2-3H,1H3,(H,7,8,9);1-2H3.
What are the key properties of ethane;5-methyl-5H-pyrimidine-2,4-dione?
ethane;5-methyl-5H-pyrimidine-2,4-dione has a molecular weight of 156.18 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 145043205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).