N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine

C18H15N5S — CID 9151035

IUPACN-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine
SMILESCSc1nc(Nc2ccc3cn[nH]c3c2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H15N5S/c1-24-18-21-15(12-5-3-2-4-6-12)10-17(22-18)20-14-8-7-13-11-19-23-16(13)9-14/h2-11H,1H3,(H,19,23)(H,20,21,22)
InChIKeyNPQZLCRSVZPUCR-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.49
Rot. Bonds4

About N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine

N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine (PubChem CID 9151035) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine.

Molecular Properties

Compound NameN-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine
PubChem CID9151035
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC NameN-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine
SMILESCSc1nc(Nc2ccc3cn[nH]c3c2)cc(-c2ccccc2)n1
InChIInChI=1S/C18H15N5S/c1-24-18-21-15(12-5-3-2-4-6-12)10-17(22-18)20-14-8-7-13-11-19-23-16(13)9-14/h2-11H,1H3,(H,19,23)(H,20,21,22)
InChIKeyNPQZLCRSVZPUCR-UHFFFAOYSA-N
XLogP4.49
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 71352960
[4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 3-methylbutanoate
CID 9150134
N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
CID 52944867
N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 505746
N-(1H-indazol-6-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276334
N-(3-methylsulfanylpropyl)-1H-indazol-6-amine
CID 43743379
N-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-amine
CID 827706
N-(4-phenylcyclohexyl)-1H-indazol-6-amine
CID 2847039
4-N-(3,4-dimethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 53214462
2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine
CID 90278205
2-(1H-indazol-6-ylamino)-N-(4-phenylphenyl)pyridine-3-carboxamide
CID 10272638
methyl 3-hydroxy-2-[[4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carbonyl]amino]butanoate
CID 10180144

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine?
The IUPAC name of N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine (CID 9151035) is N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine.
What is the SMILES notation for N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine?
The canonical SMILES for N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine is CSc1nc(Nc2ccc3cn[nH]c3c2)cc(-c2ccccc2)n1.
What is the InChIKey of N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine?
The InChIKey is NPQZLCRSVZPUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S/c1-24-18-21-15(12-5-3-2-4-6-12)10-17(22-18)20-14-8-7-13-11-19-23-16(13)9-14/h2-11H,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine?
N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine has a molecular weight of 333.42 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)-1H-indazol-6-amine is sourced from PubChem (CID 9151035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).