ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate

C15H17N3O2 — CID 102972840

IUPACethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Cc2ccccn2)nc1CC
InChIInChI=1S/C15H17N3O2/c1-3-13-12(15(19)20-4-2)10-17-14(18-13)9-11-7-5-6-8-16-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyJZNYNFWGWCSICM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.20
Rot. Bonds5

About ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate

ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate (PubChem CID 102972840) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
PubChem CID102972840
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Cc2ccccn2)nc1CC
InChIInChI=1S/C15H17N3O2/c1-3-13-12(15(19)20-4-2)10-17-14(18-13)9-11-7-5-6-8-16-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyJZNYNFWGWCSICM-UHFFFAOYSA-N
XLogP2.20
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-chloro-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 114213761
ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate
CID 165448403
ethyl 4-ethyl-2-(3-methylbutyl)pyrimidine-5-carboxylate
CID 102972892
ethyl 4-(chloromethyl)-2-[(2-chlorophenyl)methyl]pyrimidine-5-carboxylate
CID 102973384
ethyl 4-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylate
CID 102972902
ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate
CID 102972907
ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate
CID 102972785
ethyl 4-(chloromethyl)-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylate
CID 102973439
ethyl 4-ethyl-2-[2-(2-methoxyethoxy)ethyl]pyrimidine-5-carboxylate
CID 102972911
ethyl 2-(3-bromo-2-pyridinyl)-4-ethylpyrimidine-5-carboxylate
CID 102972858
ethyl 3-amino-2-(pyridin-2-ylmethylamino)benzoate
CID 115934021
ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate
CID 108773733

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate (CID 102972840) is ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(Cc2ccccn2)nc1CC.
What is the InChIKey of ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate?
The InChIKey is JZNYNFWGWCSICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-13-12(15(19)20-4-2)10-17-14(18-13)9-11-7-5-6-8-16-11/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate?
ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 102972840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).