4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine

C11H9Cl2N3S — CID 103288736

IUPAC4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(SCc2ccccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3S/c12-8-4-2-1-3-7(8)6-17-10-5-9(13)15-11(14)16-10/h1-5H,6H2,(H2,14,15,16)
InChIKeyGZQVDUIUIJXVCV-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.66
Rot. Bonds3

About 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine

4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine (PubChem CID 103288736) has the molecular formula C11H9Cl2N3S and a molecular weight of 286.19 g/mol. Its IUPAC name is 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine
PubChem CID103288736
Molecular FormulaC11H9Cl2N3S
Molecular Weight286.19 g/mol
Exact Mass284.99
IUPAC Name4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(SCc2ccccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3S/c12-8-4-2-1-3-7(8)6-17-10-5-9(13)15-11(14)16-10/h1-5H,6H2,(H2,14,15,16)
InChIKeyGZQVDUIUIJXVCV-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

6-[(2-chlorophenyl)methylsulfanyl]-4-N-methylpyrimidine-2,4-diamine
CID 103291468
2-[(2-chlorophenyl)methylsulfanyl]quinolin-6-amine
CID 103288249
[6-[(2-chlorophenyl)methylsulfanyl]-2-methylpyrimidin-4-yl]hydrazine
CID 103291602
[6-[(2-chlorophenyl)methylsulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 103291599
4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine
CID 103291463
6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 31537704
4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 103704699
2-(2-amino-6-chloropyrimidin-4-yl)sulfanylacetic acid
CID 94830344
4-benzylsulfanyl-6-[(2-chlorophenyl)methylsulfanyl]pyrimidine
CID 95918204
2-tert-butyl-6-[(2-chlorophenyl)methylsulfanyl]-N-methylpyrimidin-4-amine
CID 103291531
4-chloro-6-[(2-methylphenyl)methylsulfanyl]-2-propan-2-ylpyrimidine
CID 80951036
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine (CID 103288736) is 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine is Nc1nc(Cl)cc(SCc2ccccc2Cl)n1.
What is the InChIKey of 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine?
The InChIKey is GZQVDUIUIJXVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3S/c12-8-4-2-1-3-7(8)6-17-10-5-9(13)15-11(14)16-10/h1-5H,6H2,(H2,14,15,16).
What are the key properties of 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine?
4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-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 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 103288736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).