N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine

C13H19N3 — CID 115827057

IUPACN-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine
SMILESCCNC(c1cncnc1)C1CC2CC2C1
InChIInChI=1S/C13H19N3/c1-2-16-13(12-6-14-8-15-7-12)11-4-9-3-10(9)5-11/h6-11,13,16H,2-5H2,1H3
InChIKeyLXDIFDXNYOEMCC-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.17
Rot. Bonds4

About N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine

N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine (PubChem CID 115827057) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine
PubChem CID115827057
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine
SMILESCCNC(c1cncnc1)C1CC2CC2C1
InChIInChI=1S/C13H19N3/c1-2-16-13(12-6-14-8-15-7-12)11-4-9-3-10(9)5-11/h6-11,13,16H,2-5H2,1H3
InChIKeyLXDIFDXNYOEMCC-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923487
N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799190
N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107004233
N-[(1,1-dioxothiolan-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 115336884
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037
N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107188092
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 115826950
N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811418
N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine
CID 105044882
N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 64731500
N-[3-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115850632
N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine
CID 105022208

Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine (CID 115827057) is N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine is CCNC(c1cncnc1)C1CC2CC2C1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine?
The InChIKey is LXDIFDXNYOEMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-16-13(12-6-14-8-15-7-12)11-4-9-3-10(9)5-11/h6-11,13,16H,2-5H2,1H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine?
N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine has a molecular weight of 217.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 115827057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).