(5S)-5-methyl-5H-pyrimidine-2,4-dione

C5H6N2O2 — CID 98455950

IUPAC(5S)-5-methyl-5H-pyrimidine-2,4-dione
SMILESC[C@H]1C=NC(=O)NC1=O
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2-3H,1H3,(H,7,8,9)/t3-/m0/s1
InChIKeyUUHVJQQFVHPOGR-VKHMYHEASA-N
MW126.11 g/mol
LogP-0.06
Rot. Bonds

About (5S)-5-methyl-5H-pyrimidine-2,4-dione

(5S)-5-methyl-5H-pyrimidine-2,4-dione (PubChem CID 98455950) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is (5S)-5-methyl-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5H-pyrimidine-2,4-dione
PubChem CID98455950
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name(5S)-5-methyl-5H-pyrimidine-2,4-dione
SMILESC[C@H]1C=NC(=O)NC1=O
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2-3H,1H3,(H,7,8,9)/t3-/m0/s1
InChIKeyUUHVJQQFVHPOGR-VKHMYHEASA-N
XLogP-0.06
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5H-pyrimidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5H-pyrimidine-2,4-dione (CID 98455950) is (5S)-5-methyl-5H-pyrimidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5H-pyrimidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5H-pyrimidine-2,4-dione is C[C@H]1C=NC(=O)NC1=O.
What is the InChIKey of (5S)-5-methyl-5H-pyrimidine-2,4-dione?
The InChIKey is UUHVJQQFVHPOGR-VKHMYHEASA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2-3H,1H3,(H,7,8,9)/t3-/m0/s1.
What are the key properties of (5S)-5-methyl-5H-pyrimidine-2,4-dione?
(5S)-5-methyl-5H-pyrimidine-2,4-dione has a molecular weight of 126.11 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 98455950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).