ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate

C16H19N3O3 — CID 59517799

IUPACethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccc(OC)c2)nc1N(C)C
InChIInChI=1S/C16H19N3O3/c1-5-22-16(20)13-10-17-14(18-15(13)19(2)3)11-7-6-8-12(9-11)21-4/h6-10H,5H2,1-4H3
InChIKeyOHSTVGJUFZRJCE-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.39
Rot. Bonds5

About ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate

ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate (PubChem CID 59517799) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
PubChem CID59517799
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nameethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccc(OC)c2)nc1N(C)C
InChIInChI=1S/C16H19N3O3/c1-5-22-16(20)13-10-17-14(18-15(13)19(2)3)11-7-6-8-12(9-11)21-4/h6-10H,5H2,1-4H3
InChIKeyOHSTVGJUFZRJCE-UHFFFAOYSA-N
XLogP2.39
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate
CID 59517572
ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate
CID 139986038
ethyl 2-(3-methoxyphenyl)pyrimidine-4-carboxylate
CID 113341045
prop-2-ynyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate
CID 59517613
methyl 4-chloro-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169042
(3-chlorophenyl) 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate
CID 59517790
ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate
CID 71680298
4-amino-2-(3-methoxyphenyl)-N-methylpyrimidine-5-carboxamide
CID 83567298
ethyl 4-(N-amino-2-methylanilino)-2-phenylpyrimidine-5-carboxylate
CID 70560867
1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone
CID 62771715
ethyl 4-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 92771626
ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
CID 756815

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate (CID 59517799) is ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cccc(OC)c2)nc1N(C)C.
What is the InChIKey of ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate?
The InChIKey is OHSTVGJUFZRJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-5-22-16(20)13-10-17-14(18-15(13)19(2)3)11-7-6-8-12(9-11)21-4/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate?
ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 59517799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).