4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine

C15H19N7S — CID 19146005

IUPAC4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine
SMILESCC(C)(C)NNc1ncnc(Nc2nc3ccccc3s2)c1N
InChIInChI=1S/C15H19N7S/c1-15(2,3)22-21-13-11(16)12(17-8-18-13)20-14-19-9-6-4-5-7-10(9)23-14/h4-8,22H,16H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyVFBCSWUIZSCJCR-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.13
Rot. Bonds4

About 4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine

4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine (PubChem CID 19146005) has the molecular formula C15H19N7S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine
PubChem CID19146005
Molecular FormulaC15H19N7S
Molecular Weight329.43 g/mol
Exact Mass329.14
IUPAC Name4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine
SMILESCC(C)(C)NNc1ncnc(Nc2nc3ccccc3s2)c1N
InChIInChI=1S/C15H19N7S/c1-15(2,3)22-21-13-11(16)12(17-8-18-13)20-14-19-9-6-4-5-7-10(9)23-14/h4-8,22H,16H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyVFBCSWUIZSCJCR-UHFFFAOYSA-N
XLogP3.13
TPSA100.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(2-tert-butylhydrazinyl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150109
4-N-(1,3-benzothiazol-2-yl)-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145540
4-N-(1,3-benzothiazol-2-yl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544317
4-N-(1,3-benzothiazol-2-yl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19146028
N'-[5-amino-6-(1,3-benzothiazol-2-ylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19145981
6-(4-benzhydrylpiperazin-1-yl)-4-N-(1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19139612
4-N-(1,3-benzothiazol-2-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543666
ethyl 4-[[5-amino-6-(1,3-benzothiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate
CID 19145936
4-N-(1,3-benzothiazol-2-yl)-6-cyclohexyloxypyrimidine-4,5-diamine
CID 19146051
4-N-(1,3-benzothiazol-2-yl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19146041
4-N-(1,3-benzothiazol-2-yl)-6-(5-bromoquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19146006
4-N-(1,3-benzothiazol-2-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19146024

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine (CID 19146005) is 4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine is CC(C)(C)NNc1ncnc(Nc2nc3ccccc3s2)c1N.
What is the InChIKey of 4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine?
The InChIKey is VFBCSWUIZSCJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7S/c1-15(2,3)22-21-13-11(16)12(17-8-18-13)20-14-19-9-6-4-5-7-10(9)23-14/h4-8,22H,16H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine?
4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine has a molecular weight of 329.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzothiazol-2-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19146005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).