ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate

C12H13N3O2S2 — CID 137362767

IUPACethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2cnc(SC)nc2nc1SC
InChIInChI=1S/C12H13N3O2S2/c1-4-17-11(16)8-5-7-6-13-12(19-3)15-9(7)14-10(8)18-2/h5-6H,4H2,1-3H3
InChIKeyYNIVGBINBZKQAY-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.65
Rot. Bonds4

About ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 137362767) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID137362767
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Nameethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2cnc(SC)nc2nc1SC
InChIInChI=1S/C12H13N3O2S2/c1-4-17-11(16)8-5-7-6-13-12(19-3)15-9(7)14-10(8)18-2/h5-6H,4H2,1-3H3
InChIKeyYNIVGBINBZKQAY-UHFFFAOYSA-N
XLogP2.65
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(butylamino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 10563922
ethyl 4-[(E)-hydroxyiminomethyl]-2-methylsulfanylpyrimidine-5-carboxylate
CID 136661145
diethyl phthalazine-6,7-dicarboxylate
CID 13115748
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 4-[(4-methoxyphenyl)methoxy]-2-methylsulfanylpyrimidine-5-carboxylate
CID 22125138
ethyl 4-(1,3-dihydroxypropan-2-ylamino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 171674071
methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
CID 130206256
dimethyl 5-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
CID 9151261
ethyl 4-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 59681435
ethyl 4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 5072145
ethyl 4-(2-methoxyethylamino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 3833880
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 54183376

Frequently Asked Questions

What is the IUPAC name of ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate (CID 137362767) is ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cc2cnc(SC)nc2nc1SC.
What is the InChIKey of ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is YNIVGBINBZKQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-4-17-11(16)8-5-7-6-13-12(19-3)15-9(7)14-10(8)18-2/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 295.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,7-bis(methylsulfanyl)pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 137362767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).