6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine

C17H12N6O2S — CID 22527520

IUPAC6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2nccs2)ncnc1Nc1cccc2ccccc12
InChIInChI=1S/C17H12N6O2S/c24-23(25)14-15(19-10-20-16(14)22-17-18-8-9-26-17)21-13-7-3-5-11-4-1-2-6-12(11)13/h1-10H,(H2,18,19,20,21,22)
InChIKeyCZVWZIURQPDBLY-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.48
Rot. Bonds5

About 6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine

6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine (PubChem CID 22527520) has the molecular formula C17H12N6O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is 6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
PubChem CID22527520
Molecular FormulaC17H12N6O2S
Molecular Weight364.39 g/mol
Exact Mass364.07
IUPAC Name6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2nccs2)ncnc1Nc1cccc2ccccc12
InChIInChI=1S/C17H12N6O2S/c24-23(25)14-15(19-10-20-16(14)22-17-18-8-9-26-17)21-13-7-3-5-11-4-1-2-6-12(11)13/h1-10H,(H2,18,19,20,21,22)
InChIKeyCZVWZIURQPDBLY-UHFFFAOYSA-N
XLogP4.48
TPSA105.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-N-naphthalen-1-yl-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527211
6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 22527503
4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 22527544
N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine
CID 22531681
4-N-(4-methyl-2-pyridinyl)-6-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 23483758
4-N-(3,5-dichlorophenyl)-6-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 23483538
6-N-(2,4-dimethylphenyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 23495422
4-N-benzhydryl-5-nitro-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22531679
4-N,4-N-dibenzyl-5-nitro-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 23488332
6-N-(3-chlorophenyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22531660
6-N-butyl-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 23486721
4-N-methyl-5-nitro-4-N-phenyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22526939

Frequently Asked Questions

What is the IUPAC name of 6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine (CID 22527520) is 6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine is O=[N+]([O-])c1c(Nc2nccs2)ncnc1Nc1cccc2ccccc12.
What is the InChIKey of 6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine?
The InChIKey is CZVWZIURQPDBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2S/c24-23(25)14-15(19-10-20-16(14)22-17-18-8-9-26-17)21-13-7-3-5-11-4-1-2-6-12(11)13/h1-10H,(H2,18,19,20,21,22).
What are the key properties of 6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine?
6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine has a molecular weight of 364.39 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 22527520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).