N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H14F3N5S — CID 106775903

IUPACN-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1ccsc1CNc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5S/c1-2-7-3-4-21-8(7)6-17-9-5-10(20-16)19-11(18-9)12(13,14)15/h3-5H,2,6,16H2,1H3,(H2,17,18,19,20)
InChIKeyFYQAYISQABRPCU-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.02
Rot. Bonds5

About N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775903) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775903
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1ccsc1CNc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5S/c1-2-7-3-4-21-8(7)6-17-9-5-10(20-16)19-11(18-9)12(13,14)15/h3-5H,2,6,16H2,1H3,(H2,17,18,19,20)
InChIKeyFYQAYISQABRPCU-UHFFFAOYSA-N
XLogP3.02
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.02
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-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80926174
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80926173
6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775511
4-N-[(3-ethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80855130
N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 114102594
2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80969118
2-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767829
2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 83076437
6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80945762
6-hydrazinyl-N-(2-methylcyclopropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775639
6-hydrazinyl-2-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 106775571
2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine
CID 80652752

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775903) is N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is CCc1ccsc1CNc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FYQAYISQABRPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c1-2-7-3-4-21-8(7)6-17-9-5-10(20-16)19-11(18-9)12(13,14)15/h3-5H,2,6,16H2,1H3,(H2,17,18,19,20).
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 317.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).