2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine

C14H21N3 — CID 165485023

IUPAC2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine
SMILESNC(c1ncccn1)C(C1CCC1)C1CCC1
InChIInChI=1S/C14H21N3/c15-13(14-16-8-3-9-17-14)12(10-4-1-5-10)11-6-2-7-11/h3,8-13H,1-2,4-7,15H2
InChIKeyFXDYSDMHRKMMJD-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.69
Rot. Bonds4

About 2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine

2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine (PubChem CID 165485023) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine
PubChem CID165485023
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine
SMILESNC(c1ncccn1)C(C1CCC1)C1CCC1
InChIInChI=1S/C14H21N3/c15-13(14-16-8-3-9-17-14)12(10-4-1-5-10)11-6-2-7-11/h3,8-13H,1-2,4-7,15H2
InChIKeyFXDYSDMHRKMMJD-UHFFFAOYSA-N
XLogP2.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl(pyrimidin-2-yl)methanol
CID 60798580
(R)-(2-chloro-3-pyridinyl)-cyclobutylmethanamine
CID 131061254
N-[cyclobutyl(pyrimidin-2-yl)methyl]-N-methylpropan-2-amine
CID 176763782
1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine
CID 130655450
2-cyclopentyl-1-pyrimidin-2-ylethanol
CID 62608023
2-cyclobutylpyrimidine
CID 18329571
(S)-cyclobutyl-[3-(4-fluorophenyl)-2-pyridinyl]methanamine
CID 167230191
(3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine
CID 64740038
2-(3-bromo-2-pyridinyl)-2-cyclobutylethanamine
CID 82665316
[cyclobutyl-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209352
N-(1-cyclobutylethyl)pyrimidin-2-amine
CID 115766758
(R)-cyclopentyl-(2-fluoro-3-pyridinyl)methanamine
CID 130632989

Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine (CID 165485023) is 2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine is NC(c1ncccn1)C(C1CCC1)C1CCC1.
What is the InChIKey of 2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine?
The InChIKey is FXDYSDMHRKMMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c15-13(14-16-8-3-9-17-14)12(10-4-1-5-10)11-6-2-7-11/h3,8-13H,1-2,4-7,15H2.
What are the key properties of 2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine?
2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 165485023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).