ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate

C17H20N2O3 — CID 165448403

IUPACethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(COCc2ccccc2)nc1CC
InChIInChI=1S/C17H20N2O3/c1-3-15-14(17(20)22-4-2)10-18-16(19-15)12-21-11-13-8-6-5-7-9-13/h5-10H,3-4,11-12H2,1-2H3
InChIKeyABSVTCQUFCXQNW-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.93
Rot. Bonds7

About ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate

ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate (PubChem CID 165448403) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate
PubChem CID165448403
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(COCc2ccccc2)nc1CC
InChIInChI=1S/C17H20N2O3/c1-3-15-14(17(20)22-4-2)10-18-16(19-15)12-21-11-13-8-6-5-7-9-13/h5-10H,3-4,11-12H2,1-2H3
InChIKeyABSVTCQUFCXQNW-UHFFFAOYSA-N
XLogP2.93
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate
CID 165444834
ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 102972840
benzyl 2-ethyl-4-phenoxypyrimidine-5-carboxylate
CID 174195714
ethyl 4-ethyl-2-[2-(2-methoxyethoxy)ethyl]pyrimidine-5-carboxylate
CID 102972911
ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
CID 102972892
ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate
CID 102972907
ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate
CID 102972785
ethyl 4-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylate
CID 102972902
ethyl 4-amino-2-(ethoxymethyl)pyrimidine-5-carboxylate
CID 116646813
2-phenylmethoxyethyl 4-ethylpyrimidine-5-carboxylate
CID 71874314
ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972867
ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate
CID 21220622

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate (CID 165448403) is ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(COCc2ccccc2)nc1CC.
What is the InChIKey of ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate?
The InChIKey is ABSVTCQUFCXQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-15-14(17(20)22-4-2)10-18-16(19-15)12-21-11-13-8-6-5-7-9-13/h5-10H,3-4,11-12H2,1-2H3.
What are the key properties of ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate?
ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 165448403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).