(2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate

C15H16N2O3 — CID 75416829

IUPAC(2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate
SMILESCCOc1ccccc1COC(=O)c1ccnc(C)n1
InChIInChI=1S/C15H16N2O3/c1-3-19-14-7-5-4-6-12(14)10-20-15(18)13-8-9-16-11(2)17-13/h4-9H,3,10H2,1-2H3
InChIKeyKIIBFQFBUAJGJQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.54
Rot. Bonds5

About (2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate

(2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate (PubChem CID 75416829) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate
PubChem CID75416829
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate
SMILESCCOc1ccccc1COC(=O)c1ccnc(C)n1
InChIInChI=1S/C15H16N2O3/c1-3-19-14-7-5-4-6-12(14)10-20-15(18)13-8-9-16-11(2)17-13/h4-9H,3,10H2,1-2H3
InChIKeyKIIBFQFBUAJGJQ-UHFFFAOYSA-N
XLogP2.54
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate?
The IUPAC name of (2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate (CID 75416829) is (2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate.
What is the SMILES notation for (2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate?
The canonical SMILES for (2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate is CCOc1ccccc1COC(=O)c1ccnc(C)n1.
What is the InChIKey of (2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate?
The InChIKey is KIIBFQFBUAJGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-19-14-7-5-4-6-12(14)10-20-15(18)13-8-9-16-11(2)17-13/h4-9H,3,10H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate?
(2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl 2-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 75416829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).