4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide

C6H5Cl2N3OS — CID 70700377

IUPAC4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(Cl)c(C(N)=O)c(Cl)n1
InChIInChI=1S/C6H5Cl2N3OS/c1-13-6-10-3(7)2(5(9)12)4(8)11-6/h1H3,(H2,9,12)
InChIKeyQTFKDTZXKGLBBX-UHFFFAOYSA-N
MW238.10 g/mol
LogP1.60
Rot. Bonds2

About 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide

4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 70700377) has the molecular formula C6H5Cl2N3OS and a molecular weight of 238.10 g/mol. Its IUPAC name is 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID70700377
Molecular FormulaC6H5Cl2N3OS
Molecular Weight238.10 g/mol
Exact Mass236.95
IUPAC Name4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(Cl)c(C(N)=O)c(Cl)n1
InChIInChI=1S/C6H5Cl2N3OS/c1-13-6-10-3(7)2(5(9)12)4(8)11-6/h1H3,(H2,9,12)
InChIKeyQTFKDTZXKGLBBX-UHFFFAOYSA-N
XLogP1.60
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
CID 4614004
4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid
CID 22053577
Methyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate
CID 71304416
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl chloride
CID 72699144
4,6-Dichloropyrimidine-5-carboxamide
CID 600359
1-(4,6-Dichloro-2-(methylthio)pyrimidin-5-yl)ethanone
CID 92132834
4-Amino-6-chloro-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 9855786
4-Chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 11951695
4-Chloro-2-(methylthio)pyrimidine-5-carboxamide
CID 18858762
2,4,6-Trichloropyrimidine-5-carboxamide
CID 53810920
4-Amino-2,6-dichloropyrimidine-5-carboxamide
CID 72942159
2,4,6-trichloro-N,N-dimethylpyrimidine-5-carboxamide
CID 85945614

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide (CID 70700377) is 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(Cl)c(C(N)=O)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is QTFKDTZXKGLBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N3OS/c1-13-6-10-3(7)2(5(9)12)4(8)11-6/h1H3,(H2,9,12).
What are the key properties of 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide?
4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 238.10 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 70700377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).