methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate

C8H10N2O3 — CID 137204361

IUPACmethyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-4-6(8(12)13-3)7(11)10-5(2)9-4/h1-3H3,(H,9,10,11)
InChIKeyJQFOSXKRGLSVDN-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.17
Rot. Bonds1

About methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate

methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 137204361) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID137204361
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-4-6(8(12)13-3)7(11)10-5(2)9-4/h1-3H3,(H,9,10,11)
InChIKeyJQFOSXKRGLSVDN-UHFFFAOYSA-N
XLogP0.17
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate (CID 137204361) is methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate is COC(=O)c1c(C)nc(C)[nH]c1=O.
What is the InChIKey of methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is JQFOSXKRGLSVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-6(8(12)13-3)7(11)10-5(2)9-4/h1-3H3,(H,9,10,11).
What are the key properties of methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate?
methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 137204361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).