4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine

C12H10N4S — CID 80891404

IUPAC4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
SMILESNc1nccc(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C12H10N4S/c13-12-14-6-5-10(16-12)17-11-7-8-3-1-2-4-9(8)15-11/h1-7,15H,(H2,13,14,16)
InChIKeyRWDFMVMRSYIJAE-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.69
Rot. Bonds2

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

4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine (PubChem CID 80891404) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
PubChem CID80891404
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
SMILESNc1nccc(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C12H10N4S/c13-12-14-6-5-10(16-12)17-11-7-8-3-1-2-4-9(8)15-11/h1-7,15H,(H2,13,14,16)
InChIKeyRWDFMVMRSYIJAE-UHFFFAOYSA-N
XLogP2.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891402
4-(1H-indol-2-ylsulfanyl)quinolin-8-amine
CID 83066681
6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775261
5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine
CID 114049989
[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine
CID 80926830
[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769908
1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine
CID 80651602
5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114920158
[6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80927316
5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine
CID 104507692
3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063811
2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile
CID 83077192

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine (CID 80891404) is 4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine is Nc1nccc(Sc2cc3ccccc3[nH]2)n1.
What is the InChIKey of 4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is RWDFMVMRSYIJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-12-14-6-5-10(16-12)17-11-7-8-3-1-2-4-9(8)15-11/h1-7,15H,(H2,13,14,16).
What are the key properties of 4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine?
4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 242.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 80891404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).