6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine

C12H12ClN3S2 — CID 80544469

IUPAC6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1cccc(Nc2cc(Cl)nc(SC)n2)c1
InChIInChI=1S/C12H12ClN3S2/c1-17-9-5-3-4-8(6-9)14-11-7-10(13)15-12(16-11)18-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeyJOUYRHBSVPGZCQ-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.32
Rot. Bonds4

About 6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine

6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine (PubChem CID 80544469) has the molecular formula C12H12ClN3S2 and a molecular weight of 297.84 g/mol. Its IUPAC name is 6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
PubChem CID80544469
Molecular FormulaC12H12ClN3S2
Molecular Weight297.84 g/mol
Exact Mass297.02
IUPAC Name6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1cccc(Nc2cc(Cl)nc(SC)n2)c1
InChIInChI=1S/C12H12ClN3S2/c1-17-9-5-3-4-8(6-9)14-11-7-10(13)15-12(16-11)18-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeyJOUYRHBSVPGZCQ-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-chloro-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80948595
6-chloro-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544635
1-[3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]ethanone
CID 71671574
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-methylbenzamide
CID 88571946
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80546836
N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80544730
6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
CID 80647295
6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545283
6-chloro-N-(3-chloro-2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544765
N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 103481032
6-chloro-N-(2-iodophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544731
5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione
CID 23412179

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine (CID 80544469) is 6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine is CSc1cccc(Nc2cc(Cl)nc(SC)n2)c1.
What is the InChIKey of 6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine?
The InChIKey is JOUYRHBSVPGZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S2/c1-17-9-5-3-4-8(6-9)14-11-7-10(13)15-12(16-11)18-2/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine?
6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine has a molecular weight of 297.84 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80544469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).