methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate

C12H18N2O4 — CID 142395249

IUPACmethyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(COC(C)(C)C)[nH]c1=O
InChIInChI=1S/C12H18N2O4/c1-7-9(11(16)17-5)10(15)14-8(13-7)6-18-12(2,3)4/h6H2,1-5H3,(H,13,14,15)
InChIKeyJCBDMTCPAUYSOS-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.18
Rot. Bonds3

About methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate

methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 142395249) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID142395249
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(COC(C)(C)C)[nH]c1=O
InChIInChI=1S/C12H18N2O4/c1-7-9(11(16)17-5)10(15)14-8(13-7)6-18-12(2,3)4/h6H2,1-5H3,(H,13,14,15)
InChIKeyJCBDMTCPAUYSOS-UHFFFAOYSA-N
XLogP1.18
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate (CID 142395249) is methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate is COC(=O)c1c(C)nc(COC(C)(C)C)[nH]c1=O.
What is the InChIKey of methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is JCBDMTCPAUYSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7-9(11(16)17-5)10(15)14-8(13-7)6-18-12(2,3)4/h6H2,1-5H3,(H,13,14,15).
What are the key properties of methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate?
methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 142395249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).