5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide

C16H15ClN4O2S — CID 43052974

IUPAC5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)Nc2ccccc2C(=O)NC2CC2)n1
InChIInChI=1S/C16H15ClN4O2S/c1-24-16-18-8-11(17)13(21-16)15(23)20-12-5-3-2-4-10(12)14(22)19-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,23)
InChIKeyYXZXXICLQMQAHR-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.00
Rot. Bonds5

About 5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide

5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 43052974) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID43052974
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)Nc2ccccc2C(=O)NC2CC2)n1
InChIInChI=1S/C16H15ClN4O2S/c1-24-16-18-8-11(17)13(21-16)15(23)20-12-5-3-2-4-10(12)14(22)19-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,23)
InChIKeyYXZXXICLQMQAHR-UHFFFAOYSA-N
XLogP3.00
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methylsulfanyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]pyrimidine-4-carboxamide
CID 43067121
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CID 2983334
5-chloro-2-methylsulfanyl-N'-(2-nitrobenzoyl)pyrimidine-4-carbohydrazide
CID 35572798
5-chloro-N-(3-iodo-4-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 36860018
5-chloro-N-[(1R,2S)-2-methylcyclohexyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 51928172
5-chloro-N-(3-methyl-2-pyridinyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6462899
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812660
5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 24673165
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
N-[2-(cyclohexylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922643

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide (CID 43052974) is 5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide is CSc1ncc(Cl)c(C(=O)Nc2ccccc2C(=O)NC2CC2)n1.
What is the InChIKey of 5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is YXZXXICLQMQAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c1-24-16-18-8-11(17)13(21-16)15(23)20-12-5-3-2-4-10(12)14(22)19-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide?
5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 362.84 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 43052974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).