2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine

C14H21N3O — CID 117230949

IUPAC2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine
SMILESc1nc(C2CCCC2)ncc1OCC1CCNC1
InChIInChI=1S/C14H21N3O/c1-2-4-12(3-1)14-16-8-13(9-17-14)18-10-11-5-6-15-7-11/h8-9,11-12,15H,1-7,10H2
InChIKeyFYIGHKUVKNJYQT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.12
Rot. Bonds4

About 2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine

2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine (PubChem CID 117230949) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine
PubChem CID117230949
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine
SMILESc1nc(C2CCCC2)ncc1OCC1CCNC1
InChIInChI=1S/C14H21N3O/c1-2-4-12(3-1)14-16-8-13(9-17-14)18-10-11-5-6-15-7-11/h8-9,11-12,15H,1-7,10H2
InChIKeyFYIGHKUVKNJYQT-UHFFFAOYSA-N
XLogP2.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
5-(piperidin-4-ylmethoxy)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 123875025
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
CID 164576587
2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine
CID 117230974
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine
CID 86317833
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 58737388
5-(pyrrolidin-3-ylmethoxy)-1,2-benzoxazole
CID 84683617
5-(pyrrolidin-3-ylmethoxy)-1,2-benzothiazole
CID 84697866

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine?
The IUPAC name of 2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine (CID 117230949) is 2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine.
What is the SMILES notation for 2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine?
The canonical SMILES for 2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine is c1nc(C2CCCC2)ncc1OCC1CCNC1.
What is the InChIKey of 2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine?
The InChIKey is FYIGHKUVKNJYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-4-12(3-1)14-16-8-13(9-17-14)18-10-11-5-6-15-7-11/h8-9,11-12,15H,1-7,10H2.
What are the key properties of 2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine?
2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine has a molecular weight of 247.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(pyrrolidin-3-ylmethoxy)pyrimidine is sourced from PubChem (CID 117230949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).