ethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate

C10H11ClN4O2 — CID 14087435

IUPACethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)C)nc(Cl)c1C#N
InChIInChI=1S/C10H11ClN4O2/c1-4-17-9(16)7-6(5-12)8(11)14-10(13-7)15(2)3/h4H2,1-3H3
InChIKeyAZYPDHRZTMJGNW-UHFFFAOYSA-N
MW254.68 g/mol
LogP1.24
Rot. Bonds3

About ethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate

ethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate (PubChem CID 14087435) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is ethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate
PubChem CID14087435
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Nameethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)C)nc(Cl)c1C#N
InChIInChI=1S/C10H11ClN4O2/c1-4-17-9(16)7-6(5-12)8(11)14-10(13-7)15(2)3/h4H2,1-3H3
InChIKeyAZYPDHRZTMJGNW-UHFFFAOYSA-N
XLogP1.24
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichlorofuro(3,4-d)pyrimidin-7(5H)-one
CID 23125097
6-Chloro-2,5-dimethyl-pyrimidine-4-carboxylic acid ethyl ester
CID 50998928
Ethyl 6-chloro-5-methylpyrimidine-4-carboxylate
CID 56592992
Ethyl 6-chloro-5-fluoro-2-methylpyrimidine-4-carboxylate
CID 19018470
Methyl 2,6-dichloro-5-(trifluoromethyl)pyrimidine-4-carboxylate
CID 45588385
Ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate
CID 88538797
Ethyl 6-chloro-5-fluoropyrimidine-4-carboxylate
CID 126751868
Diethyl 6-(diethylamino)-5-methylpyrimidine-2,4-dicarboxylate
CID 12244940
Ethyl 6-chloro-5-cyano-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 14087432
Ethyl 6-chloro-5-cyano-2-piperidin-1-ylpyrimidine-4-carboxylate
CID 14087433
Ethyl 6-chloro-5-cyano-2-morpholin-4-ylpyrimidine-4-carboxylate
CID 14087434
Ethyl 6-chloro-2-formyl-5-methyl-4-pyrimidinecarboxylate
CID 85989899

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate?
The IUPAC name of ethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate (CID 14087435) is ethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate is CCOC(=O)c1nc(N(C)C)nc(Cl)c1C#N.
What is the InChIKey of ethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate?
The InChIKey is AZYPDHRZTMJGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-4-17-9(16)7-6(5-12)8(11)14-10(13-7)15(2)3/h4H2,1-3H3.
What are the key properties of ethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate?
ethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate has a molecular weight of 254.68 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-5-cyano-2-(dimethylamino)pyrimidine-4-carboxylate is sourced from PubChem (CID 14087435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).