methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate

C10H14N2O4 — CID 136700220

IUPACmethyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C(C)C)nc(OC)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-5(2)7-6(9(14)15-3)8(13)12-10(11-7)16-4/h5H,1-4H3,(H,11,12,13)
InChIKeyNRYDDORTDNUTFT-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.69
Rot. Bonds3

About methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate

methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate (PubChem CID 136700220) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate
PubChem CID136700220
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C(C)C)nc(OC)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-5(2)7-6(9(14)15-3)8(13)12-10(11-7)16-4/h5H,1-4H3,(H,11,12,13)
InChIKeyNRYDDORTDNUTFT-UHFFFAOYSA-N
XLogP0.69
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 6-ethyl-4-hydroxypyrimidine-5-carboxylate
CID 135616682
2-methoxy-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461945
ethyl 2-amino-4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 152415043
methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 137204360
methyl 4-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 137258023

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate (CID 136700220) is methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate is COC(=O)c1c(C(C)C)nc(OC)[nH]c1=O.
What is the InChIKey of methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate?
The InChIKey is NRYDDORTDNUTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5(2)7-6(9(14)15-3)8(13)12-10(11-7)16-4/h5H,1-4H3,(H,11,12,13).
What are the key properties of methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate?
methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-oxo-4-propan-2-yl-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 136700220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).