(5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione

C6H8N2O2 — CID 124706287

IUPAC(5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)[C@H](C)C(=O)N1
InChIInChI=1S/C6H8N2O2/c1-3-5(9)7-4(2)8-6(3)10/h3H,1-2H3,(H,7,8,9,10)
InChIKeyVKYFYFKZVDRIQF-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.30
Rot. Bonds

About (5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione

(5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione (PubChem CID 124706287) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is (5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name(5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione
PubChem CID124706287
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name(5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)[C@H](C)C(=O)N1
InChIInChI=1S/C6H8N2O2/c1-3-5(9)7-4(2)8-6(3)10/h3H,1-2H3,(H,7,8,9,10)
InChIKeyVKYFYFKZVDRIQF-UHFFFAOYSA-N
XLogP-0.30
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4,6-pyrimidinedione
CID 580924
5-fluoro-2-methyl-1H-pyrimidine-4,6-dione
CID 77520036
2-(1-aminopropan-2-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80551007
2-(5-fluoro-4,6-dioxo-1H-pyrimidin-2-yl)acetamide
CID 84074890
2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 19432054
2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 22898627
2-ethyl-1H-pyrimidine-4,6-dione
CID 23031994
2,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 55287748
2,5-diethyl-1H-pyrimidine-4,6-dione
CID 58730533
2-tert-butyl-1H-pyrimidine-4,6-dione
CID 58907282
2-ethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 69298206
5-ethyl-2-methyl-1H-pyrimidine-4,6-dione
CID 75088261

Frequently Asked Questions

What is the IUPAC name of (5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of (5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione (CID 124706287) is (5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for (5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for (5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione is CC1=NC(=O)[C@H](C)C(=O)N1.
What is the InChIKey of (5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione?
The InChIKey is VKYFYFKZVDRIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-3-5(9)7-4(2)8-6(3)10/h3H,1-2H3,(H,7,8,9,10).
What are the key properties of (5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione?
(5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione has a molecular weight of 140.14 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5-dimethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 124706287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).