N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine

C17H21N3 — CID 102923880

IUPACN-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1cncnc1
InChIInChI=1S/C17H21N3/c1-2-20-17(16-10-18-12-19-11-16)15-8-6-14(7-9-15)13-4-3-5-13/h6-13,17,20H,2-5H2,1H3
InChIKeyYYEHENUEHXELFS-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.44
Rot. Bonds5

About N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine

N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 102923880) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID102923880
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1cncnc1
InChIInChI=1S/C17H21N3/c1-2-20-17(16-10-18-12-19-11-16)15-8-6-14(7-9-15)13-4-3-5-13/h6-13,17,20H,2-5H2,1H3
InChIKeyYYEHENUEHXELFS-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 116506363
N-[(4-cyclobutylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 105044981
N-[(4-cyclobutylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 116506103
N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 105045025
N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 103444478
N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 116506465
N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 116506386
N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 105044884
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897
N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617
N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyrimidin-5-yl)methyl]ethanamine
CID 115827350

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine (CID 102923880) is N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine is CCNC(c1ccc(C2CCC2)cc1)c1cncnc1.
What is the InChIKey of N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is YYEHENUEHXELFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-20-17(16-10-18-12-19-11-16)15-8-6-14(7-9-15)13-4-3-5-13/h6-13,17,20H,2-5H2,1H3.
What are the key properties of N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 102923880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).