ethane;1-methylpyrimidine-2,4-dione

C7H12N2O2 — CID 91098384

IUPACethane;1-methylpyrimidine-2,4-dione
SMILESCC.Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2.C2H6/c1-7-3-2-4(8)6-5(7)9;1-2/h2-3H,1H3,(H,6,8,9);1-2H3
InChIKeyYZZZFVDBOMDTGD-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.10
Rot. Bonds

About ethane;1-methylpyrimidine-2,4-dione

ethane;1-methylpyrimidine-2,4-dione (PubChem CID 91098384) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethane;1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Nameethane;1-methylpyrimidine-2,4-dione
PubChem CID91098384
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Nameethane;1-methylpyrimidine-2,4-dione
SMILESCC.Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2.C2H6/c1-7-3-2-4(8)6-5(7)9;1-2/h2-3H,1H3,(H,6,8,9);1-2H3
InChIKeyYZZZFVDBOMDTGD-UHFFFAOYSA-N
XLogP0.10
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethylphosphane;1-methylpyrimidine-2,4-dione
CID 175119511
(2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione
CID 145045789
1-bromopyrimidine-2,4-dione
CID 18634533
1-(methylamino)pyrimidine-2,4-dione
CID 68682640
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione
CID 170164664
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
1-prop-1-en-2-ylpyrimidine-2,4-dione
CID 144698021
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-pyrrol-1-ylpyrimidine-2,4-dione
CID 174941704

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpyrimidine-2,4-dione?
The IUPAC name of ethane;1-methylpyrimidine-2,4-dione (CID 91098384) is ethane;1-methylpyrimidine-2,4-dione.
What is the SMILES notation for ethane;1-methylpyrimidine-2,4-dione?
The canonical SMILES for ethane;1-methylpyrimidine-2,4-dione is CC.Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of ethane;1-methylpyrimidine-2,4-dione?
The InChIKey is YZZZFVDBOMDTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C2H6/c1-7-3-2-4(8)6-5(7)9;1-2/h2-3H,1H3,(H,6,8,9);1-2H3.
What are the key properties of ethane;1-methylpyrimidine-2,4-dione?
ethane;1-methylpyrimidine-2,4-dione has a molecular weight of 156.18 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 91098384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).