propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate

C10H14N2O3 — CID 133059260

IUPACpropan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate
SMILESCOc1ncc(C(=O)OC(C)C)c(C)n1
InChIInChI=1S/C10H14N2O3/c1-6(2)15-9(13)8-5-11-10(14-4)12-7(8)3/h5-6H,1-4H3
InChIKeyHXZQMXZGBCLKLV-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.36
Rot. Bonds3

About propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate

propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate (PubChem CID 133059260) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate
PubChem CID133059260
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namepropan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate
SMILESCOc1ncc(C(=O)OC(C)C)c(C)n1
InChIInChI=1S/C10H14N2O3/c1-6(2)15-9(13)8-5-11-10(14-4)12-7(8)3/h5-6H,1-4H3
InChIKeyHXZQMXZGBCLKLV-UHFFFAOYSA-N
XLogP1.36
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4,6-dimethylpyridine-3-carboxylate
CID 121321019
propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55473328
propan-2-yl 4-chloro-6-methylpyridine-3-carboxylate
CID 68730324
4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid
CID 83181940
methyl 4-methyl-2-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate
CID 22832003
1-(4-tert-butyl-2-methoxypyrimidin-5-yl)ethanone
CID 83883758
N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
CID 53014357
propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate
CID 133057217
N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
CID 53337921
5-bromo-2-methoxy-4-methylpyrimidine
CID 51401365
propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate
CID 133057091
2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181861

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate?
The IUPAC name of propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate (CID 133059260) is propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate is COc1ncc(C(=O)OC(C)C)c(C)n1.
What is the InChIKey of propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate?
The InChIKey is HXZQMXZGBCLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)15-9(13)8-5-11-10(14-4)12-7(8)3/h5-6H,1-4H3.
What are the key properties of propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate?
propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 133059260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).