ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate

C18H23N3O3 — CID 59517774

IUPACethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2OC)nc1N(CC)CC
InChIInChI=1S/C18H23N3O3/c1-5-21(6-2)17-14(18(22)24-7-3)12-19-16(20-17)13-10-8-9-11-15(13)23-4/h8-12H,5-7H2,1-4H3
InChIKeyQKMMBVZVCXPMRM-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.18
Rot. Bonds7

About ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate

ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate (PubChem CID 59517774) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
PubChem CID59517774
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nameethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2OC)nc1N(CC)CC
InChIInChI=1S/C18H23N3O3/c1-5-21(6-2)17-14(18(22)24-7-3)12-19-16(20-17)13-10-8-9-11-15(13)23-4/h8-12H,5-7H2,1-4H3
InChIKeyQKMMBVZVCXPMRM-UHFFFAOYSA-N
XLogP3.18
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate
CID 59517794
4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid
CID 82169248
methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 116646649
ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate
CID 106793658
ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 22831688
ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate
CID 142985875
ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517799
4-amino-N-butyl-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 83567272
ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate
CID 162662540
ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate
CID 82168477
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 4-(N-amino-2-methylanilino)-2-phenylpyrimidine-5-carboxylate
CID 70560867

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate (CID 59517774) is ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2OC)nc1N(CC)CC.
What is the InChIKey of ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate?
The InChIKey is QKMMBVZVCXPMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-5-21(6-2)17-14(18(22)24-7-3)12-19-16(20-17)13-10-8-9-11-15(13)23-4/h8-12H,5-7H2,1-4H3.
What are the key properties of ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate?
ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 59517774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).