N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine

C14H19N5OS — CID 158412823

IUPACN-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine
SMILESCc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1NS
InChIInChI=1S/C14H19N5OS/c1-7(2)9-4-8(3)10(19-21)5-11(9)20-12-6-17-14(16)18-13(12)15/h4-7,19,21H,1-3H3,(H4,15,16,17,18)
InChIKeyFYXBZQPJKMTSOR-UHFFFAOYSA-N
MW305.41 g/mol
LogP3.12
Rot. Bonds4

About N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine

N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine (PubChem CID 158412823) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine
PubChem CID158412823
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine
SMILESCc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1NS
InChIInChI=1S/C14H19N5OS/c1-7(2)9-4-8(3)10(19-21)5-11(9)20-12-6-17-14(16)18-13(12)15/h4-7,19,21H,1-3H3,(H4,15,16,17,18)
InChIKeyFYXBZQPJKMTSOR-UHFFFAOYSA-N
XLogP3.12
TPSA99.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]thiohydroxylamine
CID 59598712
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
CID 71206317
5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine
CID 141170810
5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine
CID 58826988
amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
CID 163788911
5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 147504835
1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
CID 57329705
5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 88966587
5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 126513190
5-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-4-propan-2-ylbenzenesulfonamide
CID 129106128
5-(5-amino-4-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine;anilinomethanol;1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]-3-phenylurea;ethane;methane
CID 158815108
5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide
CID 57329522

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine?
The IUPAC name of N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine (CID 158412823) is N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine.
What is the SMILES notation for N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine?
The canonical SMILES for N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine is Cc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1NS.
What is the InChIKey of N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine?
The InChIKey is FYXBZQPJKMTSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-7(2)9-4-8(3)10(19-21)5-11(9)20-12-6-17-14(16)18-13(12)15/h4-7,19,21H,1-3H3,(H4,15,16,17,18).
What are the key properties of N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine?
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine has a molecular weight of 305.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine is sourced from PubChem (CID 158412823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).