6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H16F3N5S — CID 106775909

IUPAC6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(NCC2CCCCS2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5S/c12-11(13,14)10-17-8(5-9(18-10)19-15)16-6-7-3-1-2-4-20-7/h5,7H,1-4,6,15H2,(H2,16,17,18,19)
InChIKeyIIAOPIFPXHJBLT-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.48
Rot. Bonds4

About 6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775909) has the molecular formula C11H16F3N5S and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775909
Molecular FormulaC11H16F3N5S
Molecular Weight307.35 g/mol
Exact Mass307.11
IUPAC Name6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(NCC2CCCCS2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5S/c12-11(13,14)10-17-8(5-9(18-10)19-15)16-6-7-3-1-2-4-20-7/h5,7H,1-4,6,15H2,(H2,16,17,18,19)
InChIKeyIIAOPIFPXHJBLT-UHFFFAOYSA-N
XLogP2.48
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 80926536
4-N-(thiolan-2-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772556
N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106775780
6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775566
6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80946656
2-tert-butyl-6-chloro-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80951538
2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80926454
[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106775857
2-tert-butyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965810
6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80852734
2-N-methyl-6-N-(thiolan-2-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718955

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775909) is 6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is NNc1cc(NCC2CCCCS2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IIAOPIFPXHJBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5S/c12-11(13,14)10-17-8(5-9(18-10)19-15)16-6-7-3-1-2-4-20-7/h5,7H,1-4,6,15H2,(H2,16,17,18,19).
What are the key properties of 6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 307.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).