5-methyl-1H-pyrimidine-2,4-dione

C5H6N2O2 — CID 1135

IUPAC5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKeyRWQNBRDOKXIBIV-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.63
Rot. Bonds

About 5-methyl-1H-pyrimidine-2,4-dione

5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 1135) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1H-pyrimidine-2,4-dione
PubChem CID1135
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKeyRWQNBRDOKXIBIV-UHFFFAOYSA-N
XLogP-0.63
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Eniluracil
CID 43157
Trifluoromethyluracil
CID 5899
5-Formyluracil
CID 304590
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
5-Cyanouracil
CID 78145
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
5-Vinyluracil
CID 99305
5-Ethyl-2,4(1H,3H)-pyrimidinedione
CID 73267
N,N-Dimethylthymine
CID 78112
5-Isopropyluracil
CID 98575
5-Propyluracil
CID 73269
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 235106

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione (CID 1135) is 5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1H-pyrimidine-2,4-dione is Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is RWQNBRDOKXIBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9).
What are the key properties of 5-methyl-1H-pyrimidine-2,4-dione?
5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 126.11 g/mol, XLogP of -0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).