4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine

C10H9ClN4S — CID 1484290

IUPAC4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine
SMILESNc1ccc(Sc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C10H9ClN4S/c11-8-5-9(15-10(13)14-8)16-7-3-1-6(12)2-4-7/h1-5H,12H2,(H2,13,14,15)
InChIKeyINUDTCMIDSRIBQ-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.45
Rot. Bonds2

About 4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine

4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine (PubChem CID 1484290) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine
PubChem CID1484290
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine
SMILESNc1ccc(Sc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C10H9ClN4S/c11-8-5-9(15-10(13)14-8)16-7-3-1-6(12)2-4-7/h1-5H,12H2,(H2,13,14,15)
InChIKeyINUDTCMIDSRIBQ-UHFFFAOYSA-N
XLogP2.45
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine?
The IUPAC name of 4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine (CID 1484290) is 4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine is Nc1ccc(Sc2cc(Cl)nc(N)n2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine?
The InChIKey is INUDTCMIDSRIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c11-8-5-9(15-10(13)14-8)16-7-3-1-6(12)2-4-7/h1-5H,12H2,(H2,13,14,15).
What are the key properties of 4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine?
4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine has a molecular weight of 252.73 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfanyl-6-chloropyrimidin-2-amine is sourced from PubChem (CID 1484290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).