ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate

C19H18N4O2 — CID 59517703

IUPACethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccnc2)nc1NCc1ccccc1
InChIInChI=1S/C19H18N4O2/c1-2-25-19(24)16-13-22-17(15-9-6-10-20-12-15)23-18(16)21-11-14-7-4-3-5-8-14/h3-10,12-13H,2,11H2,1H3,(H,21,22,23)
InChIKeyFDKRESJTILXQCO-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.33
Rot. Bonds6

About ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate

ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate (PubChem CID 59517703) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate
PubChem CID59517703
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Nameethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccnc2)nc1NCc1ccccc1
InChIInChI=1S/C19H18N4O2/c1-2-25-19(24)16-13-22-17(15-9-6-10-20-12-15)23-18(16)21-11-14-7-4-3-5-8-14/h3-10,12-13H,2,11H2,1H3,(H,21,22,23)
InChIKeyFDKRESJTILXQCO-UHFFFAOYSA-N
XLogP3.33
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(4-carbamoylphenyl)methylamino]-2-(3-methylphenyl)pyrimidine-5-carboxylate
CID 108777741
ethyl 2-phenyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]pyrimidine-5-carboxylate
CID 108775013
ethyl 4-(chloromethyl)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 102973435
4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid
CID 20562052
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylate
CID 15658053
ethyl 2-pyridin-3-yl-4-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 59517680
ethyl 4-[(3-fluorophenyl)methylamino]-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 46102749
ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate
CID 20554387
ethyl 2-methylsulfanyl-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylate
CID 139270537
ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
CID 756815
diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate
CID 15404215

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate (CID 59517703) is ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cccnc2)nc1NCc1ccccc1.
What is the InChIKey of ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate?
The InChIKey is FDKRESJTILXQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-25-19(24)16-13-22-17(15-9-6-10-20-12-15)23-18(16)21-11-14-7-4-3-5-8-14/h3-10,12-13H,2,11H2,1H3,(H,21,22,23).
What are the key properties of ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate?
ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 59517703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).