5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid

C11H11Cl2N3O2S — CID 139062732

IUPAC5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid
SMILESCc1nc(C)c(Cl)c(N)n1.O=C(O)c1ccc(Cl)s1
InChIInChI=1S/C6H8ClN3.C5H3ClO2S/c1-3-5(7)6(8)10-4(2)9-3;6-4-2-1-3(9-4)5(7)8/h1-2H3,(H2,8,9,10);1-2H,(H,7,8)
InChIKeySDHLJRFFAAIBIN-UHFFFAOYSA-N
MW320.20 g/mol
LogP3.43
Rot. Bonds1

About 5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid

5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid (PubChem CID 139062732) has the molecular formula C11H11Cl2N3O2S and a molecular weight of 320.20 g/mol. Its IUPAC name is 5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid
PubChem CID139062732
Molecular FormulaC11H11Cl2N3O2S
Molecular Weight320.20 g/mol
Exact Mass318.99
IUPAC Name5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid
SMILESCc1nc(C)c(Cl)c(N)n1.O=C(O)c1ccc(Cl)s1
InChIInChI=1S/C6H8ClN3.C5H3ClO2S/c1-3-5(7)6(8)10-4(2)9-3;6-4-2-1-3(9-4)5(7)8/h1-2H3,(H2,8,9,10);1-2H,(H,7,8)
InChIKeySDHLJRFFAAIBIN-UHFFFAOYSA-N
XLogP3.43
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-5-chloro-2,6-dimethylpyrimidine-3-bromothiophene-2-carboxylic acid (1/1)
CID 139062731
4-Amino-5-chloro-2,6-dimethylpyrimidinium thiophene-2,5-dicarboxylate
CID 139088090
4-Amino-5-chloro-2-(5-chlorothiophen-2-yl)-pyrimidine-6-carboxylic acid
CID 58291660
6-Chloro-2-(thiophen-2-YL)pyrimidine-4-carboxylic acid
CID 58291709
Methyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate
CID 58291731
3-[(2,6-Dichloropyrimidin-4-yl)methylamino]thiophene-2-carboxylic acid
CID 87891565
4-[(5-Chlorothiophen-2-yl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid
CID 43514246
4-[(5-Chlorothiophen-2-yl)methylsulfanyl]-2-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 43514373
5-[4-Methyl-6-(methylamino)pyrimidin-2-YL]thiophene-2-carboxylic acid
CID 77090468
4-(6-Ethyl-2-methylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
CID 79139586
4-(2,6-Dimethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
CID 79140077
4-[(4-Chloro-6-methylpyrimidin-2-yl)methylsulfanyl]thiophene-2-carboxylic acid
CID 80664110

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid?
The IUPAC name of 5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid (CID 139062732) is 5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid.
What is the SMILES notation for 5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid?
The canonical SMILES for 5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid is Cc1nc(C)c(Cl)c(N)n1.O=C(O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid?
The InChIKey is SDHLJRFFAAIBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3.C5H3ClO2S/c1-3-5(7)6(8)10-4(2)9-3;6-4-2-1-3(9-4)5(7)8/h1-2H3,(H2,8,9,10);1-2H,(H,7,8).
What are the key properties of 5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid?
5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid has a molecular weight of 320.20 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,6-dimethylpyrimidin-4-amine;5-chlorothiophene-2-carboxylic acid is sourced from PubChem (CID 139062732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).