ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate

C20H20N4O3 — CID 108773733

IUPACethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C20H20N4O3/c1-3-27-20(26)16-12-22-14(2)23-19(16)24(13-15-8-6-7-11-21-15)17-9-4-5-10-18(17)25/h4-12,25H,3,13H2,1-2H3
InChIKeyQMIROFOSOUCAHH-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.40
Rot. Bonds6

About ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate

ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate (PubChem CID 108773733) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate
PubChem CID108773733
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Nameethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C20H20N4O3/c1-3-27-20(26)16-12-22-14(2)23-19(16)24(13-15-8-6-7-11-21-15)17-9-4-5-10-18(17)25/h4-12,25H,3,13H2,1-2H3
InChIKeyQMIROFOSOUCAHH-UHFFFAOYSA-N
XLogP3.40
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 108773745
ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-phenylpyrimidine-5-carboxylate
CID 108773752
ethyl 4-chloro-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 114213761
ethyl 4-ethyl-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 102972840
ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate
CID 67099878
4-ethoxy-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755953
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol
CID 108773738
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
ethyl 4-(N-amino-2-methylanilino)-2-phenylpyrimidine-5-carboxylate
CID 70560867
ethyl 3-amino-2-(pyridin-2-ylmethylamino)benzoate
CID 115934021

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate (CID 108773733) is ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C)nc1N(Cc1ccccn1)c1ccccc1O.
What is the InChIKey of ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate?
The InChIKey is QMIROFOSOUCAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-27-20(26)16-12-22-14(2)23-19(16)24(13-15-8-6-7-11-21-15)17-9-4-5-10-18(17)25/h4-12,25H,3,13H2,1-2H3.
What are the key properties of ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate?
ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate has a molecular weight of 364.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 108773733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).