6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C11H18F3N5O — CID 80910998

IUPAC6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCCOCC(F)(F)F
InChIInChI=1S/C11H18F3N5O/c1-2-3-8-9(17-7-18-10(8)19-15)16-4-5-20-6-11(12,13)14/h7H,2-6,15H2,1H3,(H2,16,17,18,19)
InChIKeyIXNMDGLSKWWJLZ-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.71
Rot. Bonds8

About 6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 80910998) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is 6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID80910998
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC Name6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCCOCC(F)(F)F
InChIInChI=1S/C11H18F3N5O/c1-2-3-8-9(17-7-18-10(8)19-15)16-4-5-20-6-11(12,13)14/h7H,2-6,15H2,1H3,(H2,16,17,18,19)
InChIKeyIXNMDGLSKWWJLZ-UHFFFAOYSA-N
XLogP1.71
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80819264
2-[2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 80918817
6-chloro-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63833719
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80906224
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80911399
N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80903690
N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729398
3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 102762081
6-chloro-N-(2-ethoxyethyl)-5-propylpyrimidin-4-amine
CID 63730290
6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine
CID 106412478
6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine
CID 80907775
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
CID 83064425

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 80910998) is 6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCCc1c(NN)ncnc1NCCOCC(F)(F)F.
What is the InChIKey of 6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is IXNMDGLSKWWJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O/c1-2-3-8-9(17-7-18-10(8)19-15)16-4-5-20-6-11(12,13)14/h7H,2-6,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 293.29 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80910998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).