N-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine

C20H20N4S — CID 166716688

IUPACN-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine
SMILESCc1ccccc1-c1nc(NSc2cccc(N)n2)ccc1C1CC1
InChIInChI=1S/C20H20N4S/c1-13-5-2-3-6-15(13)20-16(14-9-10-14)11-12-18(23-20)24-25-19-8-4-7-17(21)22-19/h2-8,11-12,14H,9-10H2,1H3,(H2,21,22)(H,23,24)
InChIKeyUNHOVHGECOQWDB-UHFFFAOYSA-N
MW348.48 g/mol
LogP5.03
Rot. Bonds5

About N-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine

N-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine (PubChem CID 166716688) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine
PubChem CID166716688
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC NameN-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine
SMILESCc1ccccc1-c1nc(NSc2cccc(N)n2)ccc1C1CC1
InChIInChI=1S/C20H20N4S/c1-13-5-2-3-6-15(13)20-16(14-9-10-14)11-12-18(23-20)24-25-19-8-4-7-17(21)22-19/h2-8,11-12,14H,9-10H2,1H3,(H2,21,22)(H,23,24)
InChIKeyUNHOVHGECOQWDB-UHFFFAOYSA-N
XLogP5.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.48
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-amino-2-pyridinyl)sulfanyl]-5-bromo-6-(2,6-dimethylphenyl)pyridin-2-amine
CID 166716566
N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-cyclopropylphenyl)pyridin-2-amine
CID 166716684
N-[(6-amino-3-pyridinyl)sulfanyl]-5-chloro-6-(2-methylphenyl)pyridin-2-amine
CID 166716880
6-(2-cyclopropylphenyl)-N-[[6-(3-methylpiperidin-1-yl)-2-pyridinyl]sulfanyl]-5-(trifluoromethyl)pyridin-2-amine
CID 166716770
6-(2-methylphenyl)-N-[[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]sulfanyl]-5-(trifluoromethyl)pyridin-2-amine
CID 166716752
1-[6-[[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]sulfanyl-2-pyridinyl]-4-methylpiperidine-4-carbaldehyde
CID 166716625
N-[(6-amino-2-pyridinyl)sulfanyl]-5-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 166716551
6-amino-N-[5-chloro-6-(2-cyclopropylphenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306401
1-[6-[[6-(2-cyclobutylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]sulfanyl-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 166716903
tert-butyl 4-[6-[[5-(1,1-difluoroethyl)-6-(2-methylphenyl)-2-pyridinyl]amino]sulfanyl-2-pyridinyl]piperazine-1-carboxylate
CID 142297272
5-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]sulfanyl-2-pyridinyl]-5-azaspiro[2.5]octane-2-carboxylic acid
CID 166716961
5-cyclopropyl-6-methylpyridin-2-amine
CID 79048984

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine (CID 166716688) is N-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine is Cc1ccccc1-c1nc(NSc2cccc(N)n2)ccc1C1CC1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine?
The InChIKey is UNHOVHGECOQWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c1-13-5-2-3-6-15(13)20-16(14-9-10-14)11-12-18(23-20)24-25-19-8-4-7-17(21)22-19/h2-8,11-12,14H,9-10H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine?
N-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine has a molecular weight of 348.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfanyl]-5-cyclopropyl-6-(2-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 166716688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).