2-pyridin-2-ylethyl pyrimidine-5-carboxylate

C12H11N3O2 — CID 141091460

IUPAC2-pyridin-2-ylethyl pyrimidine-5-carboxylate
SMILESO=C(OCCc1ccccn1)c1cncnc1
InChIInChI=1S/C12H11N3O2/c16-12(10-7-13-9-14-8-10)17-6-4-11-3-1-2-5-15-11/h1-3,5,7-9H,4,6H2
InChIKeyHDUOZQOZIRPLQP-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.27
Rot. Bonds4

About 2-pyridin-2-ylethyl pyrimidine-5-carboxylate

2-pyridin-2-ylethyl pyrimidine-5-carboxylate (PubChem CID 141091460) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-pyridin-2-ylethyl pyrimidine-5-carboxylate.

Molecular Properties

Compound Name2-pyridin-2-ylethyl pyrimidine-5-carboxylate
PubChem CID141091460
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-pyridin-2-ylethyl pyrimidine-5-carboxylate
SMILESO=C(OCCc1ccccn1)c1cncnc1
InChIInChI=1S/C12H11N3O2/c16-12(10-7-13-9-14-8-10)17-6-4-11-3-1-2-5-15-11/h1-3,5,7-9H,4,6H2
InChIKeyHDUOZQOZIRPLQP-UHFFFAOYSA-N
XLogP1.27
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(3-pyridin-2-ylpropyl) benzene-1,4-dicarboxylate
CID 71416852
3-pyridin-2-ylpropyl benzoate
CID 13206388
2-pyridin-2-ylethyl 2-aminobenzoate
CID 61323549
2-pyridin-2-ylethyl 1,3-dioxo-2-benzofuran-5-carboxylate
CID 147912935
2-pyridin-2-ylethyl 2-sulfanylacetate
CID 71772265
2-pyridin-2-ylethyl 4-amino-2,5-difluorobenzoate
CID 104700397
2-pyridin-2-ylethyl hydrogen sulfite
CID 57284965
2-pyridin-2-ylethoxymethanedithioate
CID 175683293
2-[2-(pyridin-2-ylmethoxy)ethoxy]ethyl 3,4-dimethylbenzoate
CID 130399793
2-pyridin-2-ylethyl (2S)-2,6-diaminohexanoate
CID 139942518
5-bromo-4-(2-pyridin-2-ylethoxy)pyrimidine
CID 66320696
2-pyridin-2-ylethyl 3-(2-aminophenoxy)propanoate
CID 61314652

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethyl pyrimidine-5-carboxylate?
The IUPAC name of 2-pyridin-2-ylethyl pyrimidine-5-carboxylate (CID 141091460) is 2-pyridin-2-ylethyl pyrimidine-5-carboxylate.
What is the SMILES notation for 2-pyridin-2-ylethyl pyrimidine-5-carboxylate?
The canonical SMILES for 2-pyridin-2-ylethyl pyrimidine-5-carboxylate is O=C(OCCc1ccccn1)c1cncnc1.
What is the InChIKey of 2-pyridin-2-ylethyl pyrimidine-5-carboxylate?
The InChIKey is HDUOZQOZIRPLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(10-7-13-9-14-8-10)17-6-4-11-3-1-2-5-15-11/h1-3,5,7-9H,4,6H2.
What are the key properties of 2-pyridin-2-ylethyl pyrimidine-5-carboxylate?
2-pyridin-2-ylethyl pyrimidine-5-carboxylate has a molecular weight of 229.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethyl pyrimidine-5-carboxylate is sourced from PubChem (CID 141091460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).