ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate

C13H20N2O3 — CID 102972388

IUPACethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(OC)C(C)C)nc1C
InChIInChI=1S/C13H20N2O3/c1-6-18-13(16)10-7-14-12(15-9(10)4)11(17-5)8(2)3/h7-8,11H,6H2,1-5H3
InChIKeyGSQRHKYKJXAETK-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.31
Rot. Bonds5

About ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate

ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate (PubChem CID 102972388) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
PubChem CID102972388
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(OC)C(C)C)nc1C
InChIInChI=1S/C13H20N2O3/c1-6-18-13(16)10-7-14-12(15-9(10)4)11(17-5)8(2)3/h7-8,11H,6H2,1-5H3
InChIKeyGSQRHKYKJXAETK-UHFFFAOYSA-N
XLogP2.31
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(1-methoxy-2-methylpropyl)-4-propylpyrimidine-5-carboxylate
CID 102972651
ethyl 2-[methoxy(phenyl)methyl]-4-methylpyrimidine-5-carboxylate
CID 102972511
ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
CID 102972537
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83179837
1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731306
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
CID 22831820
ethyl 4-(chloromethyl)-2-(1-methoxyethyl)pyrimidine-5-carboxylate
CID 102973323
ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate
CID 83179670
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424
ethyl 2-[(3-amino-3-sulfanylidenepropyl)-propan-2-ylamino]-4-methylpyrimidine-5-carboxylate
CID 83179890

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate (CID 102972388) is ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(OC)C(C)C)nc1C.
What is the InChIKey of ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate?
The InChIKey is GSQRHKYKJXAETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-6-18-13(16)10-7-14-12(15-9(10)4)11(17-5)8(2)3/h7-8,11H,6H2,1-5H3.
What are the key properties of ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate?
ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).