6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine

C9H13N7S — CID 80914412

IUPAC6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESNNc1cc(NCCc2nccs2)nc(N)n1
InChIInChI=1S/C9H13N7S/c10-9-14-6(5-7(15-9)16-11)12-2-1-8-13-3-4-17-8/h3-5H,1-2,11H2,(H4,10,12,14,15,16)
InChIKeyGMCIPIRSPVFVIS-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.46
Rot. Bonds5

About 6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine

6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80914412) has the molecular formula C9H13N7S and a molecular weight of 251.32 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID80914412
Molecular FormulaC9H13N7S
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESNNc1cc(NCCc2nccs2)nc(N)n1
InChIInChI=1S/C9H13N7S/c10-9-14-6(5-7(15-9)16-11)12-2-1-8-13-3-4-17-8/h3-5H,1-2,11H2,(H4,10,12,14,15,16)
InChIKeyGMCIPIRSPVFVIS-UHFFFAOYSA-N
XLogP0.46
TPSA114.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80828387
6-N,2-dipropyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80942872
6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80926867
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827758
2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine
CID 55176380
6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771926
2-cyclopropyl-6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80964171
6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775511
6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80896903
3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 94282162
4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932754
4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 80914412) is 6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is NNc1cc(NCCc2nccs2)nc(N)n1.
What is the InChIKey of 6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is GMCIPIRSPVFVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7S/c10-9-14-6(5-7(15-9)16-11)12-2-1-8-13-3-4-17-8/h3-5H,1-2,11H2,(H4,10,12,14,15,16).
What are the key properties of 6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 251.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80914412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).