6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine

C11H9Cl2N3S — CID 80890874

IUPAC6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C11H9Cl2N3S/c1-14-10-5-11(16-6-15-10)17-7-2-3-8(12)9(13)4-7/h2-6H,1H3,(H,14,15,16)
InChIKeyWNEYEPLTEMETPN-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.98
Rot. Bonds3

About 6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine

6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine (PubChem CID 80890874) has the molecular formula C11H9Cl2N3S and a molecular weight of 286.19 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine
PubChem CID80890874
Molecular FormulaC11H9Cl2N3S
Molecular Weight286.19 g/mol
Exact Mass284.99
IUPAC Name6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C11H9Cl2N3S/c1-14-10-5-11(16-6-15-10)17-7-2-3-8(12)9(13)4-7/h2-6H,1H3,(H,14,15,16)
InChIKeyWNEYEPLTEMETPN-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine (CID 80890874) is 6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine is CNc1cc(Sc2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine?
The InChIKey is WNEYEPLTEMETPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3S/c1-14-10-5-11(16-6-15-10)17-7-2-3-8(12)9(13)4-7/h2-6H,1H3,(H,14,15,16).
What are the key properties of 6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine?
6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine has a molecular weight of 286.19 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80890874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).