N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

C10H10F3N5O — CID 114567634

IUPACN-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(NCc2ccoc2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)7-3-8(17-9(16-7)18-14)15-4-6-1-2-19-5-6/h1-3,5H,4,14H2,(H2,15,16,17,18)
InChIKeyXIWAPNBQEZQWRB-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.99
Rot. Bonds4

About N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114567634) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114567634
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC NameN-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(NCc2ccoc2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)7-3-8(17-9(16-7)18-14)15-4-6-1-2-19-5-6/h1-3,5H,4,14H2,(H2,15,16,17,18)
InChIKeyXIWAPNBQEZQWRB-UHFFFAOYSA-N
XLogP1.99
TPSA89.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.99
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

N-(furan-3-ylmethyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102721141
N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 115875571
6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768408
2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114185590
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567304
2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567470
6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719417
2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114169698
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114567616
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 106043835
2-hydrazinyl-N-(2-methylcyclopropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567178
2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567594

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 114567634) is N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is NNc1nc(NCc2ccoc2)cc(C(F)(F)F)n1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XIWAPNBQEZQWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c11-10(12,13)7-3-8(17-9(16-7)18-14)15-4-6-1-2-19-5-6/h1-3,5H,4,14H2,(H2,15,16,17,18).
What are the key properties of N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 273.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114567634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).