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

C9H10N4O4 — CID 23504037

IUPAC5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)[nH]c1=O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H6N2O2.C4H4N2O2/c1-3-2-6-5(9)7-4(3)8;7-3-1-2-5-4(8)6-3/h2H,1H3,(H2,6,7,8,9);1-2H,(H2,5,6,7,8)
InChIKeyQCJPNTKIAXXSJI-UHFFFAOYSA-N
MW238.20 g/mol
LogP-1.57
Rot. Bonds

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

5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione (PubChem CID 23504037) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione
PubChem CID23504037
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)[nH]c1=O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H6N2O2.C4H4N2O2/c1-3-2-6-5(9)7-4(3)8;7-3-1-2-5-4(8)6-3/h2H,1H3,(H2,6,7,8,9);1-2H,(H2,5,6,7,8)
InChIKeyQCJPNTKIAXXSJI-UHFFFAOYSA-N
XLogP-1.57
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione (CID 23504037) is 5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione is Cc1c[nH]c(=O)[nH]c1=O.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione?
The InChIKey is QCJPNTKIAXXSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C4H4N2O2/c1-3-2-6-5(9)7-4(3)8;7-3-1-2-5-4(8)6-3/h2H,1H3,(H2,6,7,8,9);1-2H,(H2,5,6,7,8).
What are the key properties of 5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione?
5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione has a molecular weight of 238.20 g/mol, XLogP of -1.57, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23504037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).