5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine

C12H9ClN4S — CID 114049989

IUPAC5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine
SMILESNc1ncnc(Sc2cc3ccccc3[nH]2)c1Cl
InChIInChI=1S/C12H9ClN4S/c13-10-11(14)15-6-16-12(10)18-9-5-7-3-1-2-4-8(7)17-9/h1-6,17H,(H2,14,15,16)
InChIKeyZULKBZRUQHFGIK-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.34
Rot. Bonds2

About 5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine

5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine (PubChem CID 114049989) has the molecular formula C12H9ClN4S and a molecular weight of 276.75 g/mol. Its IUPAC name is 5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine
PubChem CID114049989
Molecular FormulaC12H9ClN4S
Molecular Weight276.75 g/mol
Exact Mass276.02
IUPAC Name5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine
SMILESNc1ncnc(Sc2cc3ccccc3[nH]2)c1Cl
InChIInChI=1S/C12H9ClN4S/c13-10-11(14)15-6-16-12(10)18-9-5-7-3-1-2-4-8(7)17-9/h1-6,17H,(H2,14,15,16)
InChIKeyZULKBZRUQHFGIK-UHFFFAOYSA-N
XLogP3.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063811
5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine
CID 104507692
5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide
CID 114409781
4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80891404
5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80890508
methyl 5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxylate
CID 114409779
6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine
CID 114049977
5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891225
1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone
CID 114055727
[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol
CID 80651696
5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114920158
4-(1H-indol-2-ylsulfanyl)quinolin-8-amine
CID 83066681

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine (CID 114049989) is 5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine is Nc1ncnc(Sc2cc3ccccc3[nH]2)c1Cl.
What is the InChIKey of 5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is ZULKBZRUQHFGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4S/c13-10-11(14)15-6-16-12(10)18-9-5-7-3-1-2-4-8(7)17-9/h1-6,17H,(H2,14,15,16).
What are the key properties of 5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine?
5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 276.75 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 114049989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).