2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine

C17H21N3 — CID 63079037

IUPAC2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine
SMILESNCCc1cnc(C2(c3ccccc3)CCCC2)nc1
InChIInChI=1S/C17H21N3/c18-11-8-14-12-19-16(20-13-14)17(9-4-5-10-17)15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,18H2
InChIKeyMSPSJICMZCVSFI-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.84
Rot. Bonds4

About 2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine

2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine (PubChem CID 63079037) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine
PubChem CID63079037
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine
SMILESNCCc1cnc(C2(c3ccccc3)CCCC2)nc1
InChIInChI=1S/C17H21N3/c18-11-8-14-12-19-16(20-13-14)17(9-4-5-10-17)15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,18H2
InChIKeyMSPSJICMZCVSFI-UHFFFAOYSA-N
XLogP2.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
CID 63080980
2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 55182307
4-amino-2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
CID 116640865
[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine
CID 63108823
4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-amine
CID 114207036
2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine
CID 65179292
2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine
CID 116779217
5-(aminomethyl)-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 64574343
1,1-diphenylcyclotetradecane
CID 175822005
5-(1-phenylcyclopentyl)-2H-tetrazole
CID 63079747
1-[4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-yl]ethanamine
CID 63079527
(1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836886

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine (CID 63079037) is 2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine is NCCc1cnc(C2(c3ccccc3)CCCC2)nc1.
What is the InChIKey of 2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine?
The InChIKey is MSPSJICMZCVSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-11-8-14-12-19-16(20-13-14)17(9-4-5-10-17)15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,18H2.
What are the key properties of 2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine?
2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 63079037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).