ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate

C14H15N3O2 — CID 114204873

IUPACethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2ccncc2CC)n1
InChIInChI=1S/C14H15N3O2/c1-3-10-9-15-7-5-11(10)13-16-8-6-12(17-13)14(18)19-4-2/h5-9H,3-4H2,1-2H3
InChIKeyKTRUURPOHOSYKY-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.28
Rot. Bonds4

About ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate

ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate (PubChem CID 114204873) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate
PubChem CID114204873
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Nameethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2ccncc2CC)n1
InChIInChI=1S/C14H15N3O2/c1-3-10-9-15-7-5-11(10)13-16-8-6-12(17-13)14(18)19-4-2/h5-9H,3-4H2,1-2H3
InChIKeyKTRUURPOHOSYKY-UHFFFAOYSA-N
XLogP2.28
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5-bromo-2-methylphenyl)pyrimidine-4-carboxylate
CID 112751700
ethyl 2-(3-methoxyphenyl)pyrimidine-4-carboxylate
CID 113341045
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]pyrimidine-4-carboxylate
CID 174475566
5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid
CID 106511963
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
ethyl 2-(2-aminoethenyl)pyrimidine-4-carboxylate
CID 146771474
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 4-(3-hydroxy-4-pyridinyl)benzoate
CID 58941031
ethyl 2-(propylsulfanylmethyl)pyrimidine-4-carboxylate
CID 165444496
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
ethyl 5-(3-chloro-4-pyridinyl)-1,2-oxazole-3-carboxylate
CID 146220672
ethyl 1-[(3-methyl-4-pyridinyl)methyl]imidazole-4-carboxylate
CID 114203788

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate (CID 114204873) is ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate is CCOC(=O)c1ccnc(-c2ccncc2CC)n1.
What is the InChIKey of ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate?
The InChIKey is KTRUURPOHOSYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-10-9-15-7-5-11(10)13-16-8-6-12(17-13)14(18)19-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate?
ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 114204873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).