2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine

C11H9Cl2N3S — CID 114044368

IUPAC2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine
SMILESNc1cnc(Cl)nc1SCc1ccc(Cl)cc1
InChIInChI=1S/C11H9Cl2N3S/c12-8-3-1-7(2-4-8)6-17-10-9(14)5-15-11(13)16-10/h1-5H,6,14H2
InChIKeyJMXQGOFYVLAQKP-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.66
Rot. Bonds3

About 2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine

2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine (PubChem CID 114044368) has the molecular formula C11H9Cl2N3S and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine
PubChem CID114044368
Molecular FormulaC11H9Cl2N3S
Molecular Weight286.19 g/mol
Exact Mass284.99
IUPAC Name2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine
SMILESNc1cnc(Cl)nc1SCc1ccc(Cl)cc1
InChIInChI=1S/C11H9Cl2N3S/c12-8-3-1-7(2-4-8)6-17-10-9(14)5-15-11(13)16-10/h1-5H,6,14H2
InChIKeyJMXQGOFYVLAQKP-UHFFFAOYSA-N
XLogP3.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[(3-methylphenyl)methylsulfanyl]pyrimidin-5-amine
CID 114044347
4-benzylsulfanyl-2-chloro-5-fluoropyrimidine
CID 79075704
7-chloro-4-[(4-chlorophenyl)methylsulfanyl]quinolin-3-amine
CID 15006897
1,4-bis[(4-chlorophenyl)methylsulfanyl]phthalazine
CID 102309856
4-[(4-chlorophenyl)methylsulfanyl]quinazolin-7-amine
CID 114790237
5-chloro-4-[(4-chlorophenyl)methylsulfanyl]-N-ethylpyrimidin-2-amine
CID 114793007
2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine
CID 114044360
3-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744942
4-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-2-amine
CID 113221003
4-benzylsulfanyl-5-chloropyrimidin-2-amine
CID 80887728
2-chloro-5-methyl-4-[(3-methylphenyl)methylsulfanyl]pyrimidine
CID 79072442
5-bromo-4-[(4-chlorophenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
CID 114793039

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine?
The IUPAC name of 2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine (CID 114044368) is 2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine is Nc1cnc(Cl)nc1SCc1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine?
The InChIKey is JMXQGOFYVLAQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3S/c12-8-3-1-7(2-4-8)6-17-10-9(14)5-15-11(13)16-10/h1-5H,6,14H2.
What are the key properties of 2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine?
2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine has a molecular weight of 286.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine is sourced from PubChem (CID 114044368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).