N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C17H24FN3 — CID 110918202

IUPACN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFc1ccc(C2(CNC3=NCCCN3)CCCCC2)cc1
InChIInChI=1S/C17H24FN3/c18-15-7-5-14(6-8-15)17(9-2-1-3-10-17)13-21-16-19-11-4-12-20-16/h5-8H,1-4,9-13H2,(H2,19,20,21)
InChIKeyNNUOMEHLRHHLEM-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.97
Rot. Bonds3

About N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110918202) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110918202
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFc1ccc(C2(CNC3=NCCCN3)CCCCC2)cc1
InChIInChI=1S/C17H24FN3/c18-15-7-5-14(6-8-15)17(9-2-1-3-10-17)13-21-16-19-11-4-12-20-16/h5-8H,1-4,9-13H2,(H2,19,20,21)
InChIKeyNNUOMEHLRHHLEM-UHFFFAOYSA-N
XLogP2.97
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112962
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918334
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918030
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918345
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970433
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
N-[[1-(2,4-dichlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 91646825
N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914117
N-[2-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 166241763
N-[(2-bromo-4-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112951
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
N-[(2-bromo-4-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112950

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110918202) is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Fc1ccc(C2(CNC3=NCCCN3)CCCCC2)cc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is NNUOMEHLRHHLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c18-15-7-5-14(6-8-15)17(9-2-1-3-10-17)13-21-16-19-11-4-12-20-16/h5-8H,1-4,9-13H2,(H2,19,20,21).
What are the key properties of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 289.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110918202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).