6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine

C16H11Cl3N4S — CID 150380630

IUPAC6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine
SMILESNc1cc(Cl)nc(SCc2cccnc2-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H11Cl3N4S/c17-10-4-1-5-11(18)14(10)15-9(3-2-6-21-15)8-24-16-22-12(19)7-13(20)23-16/h1-7H,8H2,(H2,20,22,23)
InChIKeyGZQVEOZCQSPEGK-UHFFFAOYSA-N
MW397.72 g/mol
LogP5.37
Rot. Bonds4

About 6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine

6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine (PubChem CID 150380630) has the molecular formula C16H11Cl3N4S and a molecular weight of 397.72 g/mol. Its IUPAC name is 6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine
PubChem CID150380630
Molecular FormulaC16H11Cl3N4S
Molecular Weight397.72 g/mol
Exact Mass395.98
IUPAC Name6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine
SMILESNc1cc(Cl)nc(SCc2cccnc2-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H11Cl3N4S/c17-10-4-1-5-11(18)14(10)15-9(3-2-6-21-15)8-24-16-22-12(19)7-13(20)23-16/h1-7H,8H2,(H2,20,22,23)
InChIKeyGZQVEOZCQSPEGK-UHFFFAOYSA-N
XLogP5.37
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.72
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine
CID 19610677
6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine
CID 19610676
2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 107091751
4-[3-[(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]benzenethiol
CID 135984128
2-[(2-amino-6-chlorophenyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 55242063
4-chloro-6-[(2-chlorophenyl)methylsulfanyl]pyrimidin-2-amine
CID 103288736
5-chloro-2-(pyrimidin-2-ylsulfanylmethyl)aniline
CID 62101431
3-chloro-2-(quinolin-8-ylmethylsulfanyl)aniline
CID 43304886
2-chloro-4-[(2-chloro-3-pyridinyl)methylsulfanyl]aniline
CID 79149946
2-(2,6-dichlorophenyl)-3-methylpyridine
CID 118841939
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
2-[2-(2,4,6-trichlorophenyl)-3-pyridinyl]acetic acid
CID 118807954

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine (CID 150380630) is 6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine is Nc1cc(Cl)nc(SCc2cccnc2-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine?
The InChIKey is GZQVEOZCQSPEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N4S/c17-10-4-1-5-11(18)14(10)15-9(3-2-6-21-15)8-24-16-22-12(19)7-13(20)23-16/h1-7H,8H2,(H2,20,22,23).
What are the key properties of 6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine?
6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine has a molecular weight of 397.72 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 150380630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).