benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate

C17H13N3O2 — CID 135026702

IUPACbenzyl 2-pyridin-2-ylpyrimidine-4-carboxylate
SMILESO=C(OCc1ccccc1)c1ccnc(-c2ccccn2)n1
InChIInChI=1S/C17H13N3O2/c21-17(22-12-13-6-2-1-3-7-13)15-9-11-19-16(20-15)14-8-4-5-10-18-14/h1-11H,12H2
InChIKeySFKUGKIDHOAXDC-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.90
Rot. Bonds4

About benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate

benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate (PubChem CID 135026702) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-pyridin-2-ylpyrimidine-4-carboxylate
PubChem CID135026702
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Namebenzyl 2-pyridin-2-ylpyrimidine-4-carboxylate
SMILESO=C(OCc1ccccc1)c1ccnc(-c2ccccn2)n1
InChIInChI=1S/C17H13N3O2/c21-17(22-12-13-6-2-1-3-7-13)15-9-11-19-16(20-15)14-8-4-5-10-18-14/h1-11H,12H2
InChIKeySFKUGKIDHOAXDC-UHFFFAOYSA-N
XLogP2.90
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Pyridin-3-yl)pyrimidine-4-carboxylic acid
CID 57569654
N-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)pyridine-4-carboxamide
CID 11846630
2-[(2-Phenylquinazolin-4-yl)amino]ethyl pyridine-4-carboxylate
CID 1643486
Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
Benzyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 118706489
Methyl 6-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-4-carboxylate
CID 122182537
3-[[4-(3-Pyridinyl)-2-pyrimidinyl]amino]benzoic acid methyl ester
CID 11438191
2-(Pyridin-2-yl)pyrimidine-4-carboxylic acid
CID 62749366
Ethyl 3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzoate
CID 14722177
Ethyl 4-[[6-methyl-2-(4-pyridyl)pyrimidin-4-yl]amino]benzoate
CID 127049807
Methyl 4-benzyl-6-methyl-2-pyridin-2-ylpyrimidine-5-carboxylate
CID 137632273

Frequently Asked Questions

What is the IUPAC name of benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate?
The IUPAC name of benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate (CID 135026702) is benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate.
What is the SMILES notation for benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate?
The canonical SMILES for benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate is O=C(OCc1ccccc1)c1ccnc(-c2ccccn2)n1.
What is the InChIKey of benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate?
The InChIKey is SFKUGKIDHOAXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-17(22-12-13-6-2-1-3-7-13)15-9-11-19-16(20-15)14-8-4-5-10-18-14/h1-11H,12H2.
What are the key properties of benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate?
benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate is sourced from PubChem (CID 135026702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).