ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate

C13H13ClN4O2 — CID 108773601

IUPACethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2cc(Cl)nc(C)n2)c1
InChIInChI=1S/C13H13ClN4O2/c1-3-20-13(19)9-4-5-15-11(6-9)18-12-7-10(14)16-8(2)17-12/h4-7H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyANFMTGMDFIXLEF-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.75
Rot. Bonds4

About ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate

ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate (PubChem CID 108773601) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate
PubChem CID108773601
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Nameethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2cc(Cl)nc(C)n2)c1
InChIInChI=1S/C13H13ClN4O2/c1-3-20-13(19)9-4-5-15-11(6-9)18-12-7-10(14)16-8(2)17-12/h4-7H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyANFMTGMDFIXLEF-UHFFFAOYSA-N
XLogP2.75
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate
CID 108755549
ethyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylate
CID 108773602
ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate
CID 108773574
ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3,4-oxadiazole-2-carboxylate
CID 154720037
ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate
CID 108781343
ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate
CID 108773587
ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
CID 108731992
ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carboxylate
CID 108775899
ethyl 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]pyridine-4-carboxylate
CID 108773589
ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate
CID 108777355
ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
CID 108755527
propyl 2-chloropyridine-4-carboxylate
CID 24723709

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate (CID 108773601) is ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(Nc2cc(Cl)nc(C)n2)c1.
What is the InChIKey of ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate?
The InChIKey is ANFMTGMDFIXLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-3-20-13(19)9-4-5-15-11(6-9)18-12-7-10(14)16-8(2)17-12/h4-7H,3H2,1-2H3,(H,15,16,17,18).
What are the key properties of ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate?
ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate has a molecular weight of 292.73 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 108773601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).