4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine

C17H23N5O — CID 56916874

IUPAC4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
SMILESc1cc(C2CCCC2)nc(NCc2noc(C3CCCC3)n2)n1
InChIInChI=1S/C17H23N5O/c1-2-6-12(5-1)14-9-10-18-17(20-14)19-11-15-21-16(23-22-15)13-7-3-4-8-13/h9-10,12-13H,1-8,11H2,(H,18,19,20)
InChIKeyYWOKDJHCDVGYKP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.79
Rot. Bonds5

About 4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine

4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine (PubChem CID 56916874) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
PubChem CID56916874
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
SMILESc1cc(C2CCCC2)nc(NCc2noc(C3CCCC3)n2)n1
InChIInChI=1S/C17H23N5O/c1-2-6-12(5-1)14-9-10-18-17(20-14)19-11-15-21-16(23-22-15)13-7-3-4-8-13/h9-10,12-13H,1-8,11H2,(H,18,19,20)
InChIKeyYWOKDJHCDVGYKP-UHFFFAOYSA-N
XLogP3.79
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 74248108
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864992
(1S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 124754289
4-Cyclopentyl-2-{4-[(5-methyl-1,2,4-oxadiazol-3-YL)methyl]piperazin-1-YL}pyrimidine
CID 56876787
6-[2-[5-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)pentylamino]pyrimidin-4-yl]-2-methylhexan-2-ol
CID 166977383
Methyl 5-[2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentylamino]pyrimidin-4-yl]pentanoate
CID 166977505
3-[3-[2-(2,2-Dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole
CID 167264079
5-[1-(2-Tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole
CID 170264956
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 46992693
5-Tert-butyl-3-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 53537062
6-(2-aminoethyl)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrimidin-4-amine
CID 56714936
N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-6-piperidin-4-ylpyrimidin-4-amine
CID 56719689

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine (CID 56916874) is 4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine is c1cc(C2CCCC2)nc(NCc2noc(C3CCCC3)n2)n1.
What is the InChIKey of 4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is YWOKDJHCDVGYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-6-12(5-1)14-9-10-18-17(20-14)19-11-15-21-16(23-22-15)13-7-3-4-8-13/h9-10,12-13H,1-8,11H2,(H,18,19,20).
What are the key properties of 4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 313.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 56916874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).