N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine

C19H24FN5O — CID 143007985

IUPACN-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine
SMILESN/N=C\c1cncnc1NC1CCCC(OCC(F)c2ccccc2)C1
InChIInChI=1S/C19H24FN5O/c20-18(14-5-2-1-3-6-14)12-26-17-8-4-7-16(9-17)25-19-15(11-24-21)10-22-13-23-19/h1-3,5-6,10-11,13,16-18H,4,7-9,12,21H2,(H,22,23,25)/b24-11-
InChIKeyCKBSXCPIMPRIQH-MYKKPKGFSA-N
MW357.43 g/mol
LogP3.22
Rot. Bonds7

About N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine

N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine (PubChem CID 143007985) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine
PubChem CID143007985
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC NameN-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine
SMILESN/N=C\c1cncnc1NC1CCCC(OCC(F)c2ccccc2)C1
InChIInChI=1S/C19H24FN5O/c20-18(14-5-2-1-3-6-14)12-26-17-8-4-7-16(9-17)25-19-15(11-24-21)10-22-13-23-19/h1-3,5-6,10-11,13,16-18H,4,7-9,12,21H2,(H,22,23,25)/b24-11-
InChIKeyCKBSXCPIMPRIQH-MYKKPKGFSA-N
XLogP3.22
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine?
The IUPAC name of N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine (CID 143007985) is N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine?
The canonical SMILES for N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine is N/N=C\c1cncnc1NC1CCCC(OCC(F)c2ccccc2)C1.
What is the InChIKey of N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine?
The InChIKey is CKBSXCPIMPRIQH-MYKKPKGFSA-N. The full InChI is InChI=1S/C19H24FN5O/c20-18(14-5-2-1-3-6-14)12-26-17-8-4-7-16(9-17)25-19-15(11-24-21)10-22-13-23-19/h1-3,5-6,10-11,13,16-18H,4,7-9,12,21H2,(H,22,23,25)/b24-11-.
What are the key properties of N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine?
N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine has a molecular weight of 357.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-2-phenylethoxy)cyclohexyl]-5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-amine is sourced from PubChem (CID 143007985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).