ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate

C14H22N2O3 — CID 102972538

IUPACethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)(CC)OCC)nc1C
InChIInChI=1S/C14H22N2O3/c1-6-14(5,19-8-3)13-15-9-11(10(4)16-13)12(17)18-7-2/h9H,6-8H2,1-5H3
InChIKeyAYEULWTYPVRYMQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.62
Rot. Bonds6

About ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate

ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate (PubChem CID 102972538) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate
PubChem CID102972538
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)(CC)OCC)nc1C
InChIInChI=1S/C14H22N2O3/c1-6-14(5,19-8-3)13-15-9-11(10(4)16-13)12(17)18-7-2/h9H,6-8H2,1-5H3
InChIKeyAYEULWTYPVRYMQ-UHFFFAOYSA-N
XLogP2.62
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775070
ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate
CID 116782890
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanone
CID 116778429
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775077
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 116779034
(1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431973
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
ethyl 4-chloro-2-(1,1-difluoroethyl)pyrimidine-5-carboxylate
CID 172639270
ethyl 4-methyl-2-(4,4,4-trifluorobutylamino)pyrimidine-5-carboxylate
CID 83178372
ethyl 2-[3-(aminomethyl)pentan-3-ylamino]-4-methylpyrimidine-5-carboxylate
CID 83182064

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate (CID 102972538) is ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(C)(CC)OCC)nc1C.
What is the InChIKey of ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate?
The InChIKey is AYEULWTYPVRYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-6-14(5,19-8-3)13-15-9-11(10(4)16-13)12(17)18-7-2/h9H,6-8H2,1-5H3.
What are the key properties of ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate?
ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).