(5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine

C17H26N4O — CID 124911090

IUPAC(5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESc1cnc(N[C@@H]2CCO[C@@]3(CCN(C4CCCC4)C3)C2)nc1
InChIInChI=1S/C17H26N4O/c1-2-5-15(4-1)21-10-7-17(13-21)12-14(6-11-22-17)20-16-18-8-3-9-19-16/h3,8-9,14-15H,1-2,4-7,10-13H2,(H,18,19,20)/t14-,17+/m1/s1
InChIKeyHWDKEZNQGTZIQO-PBHICJAKSA-N
MW302.42 g/mol
LogP2.45
Rot. Bonds3

About (5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine

(5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (PubChem CID 124911090) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
PubChem CID124911090
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESc1cnc(N[C@@H]2CCO[C@@]3(CCN(C4CCCC4)C3)C2)nc1
InChIInChI=1S/C17H26N4O/c1-2-5-15(4-1)21-10-7-17(13-21)12-14(6-11-22-17)20-16-18-8-3-9-19-16/h3,8-9,14-15H,1-2,4-7,10-13H2,(H,18,19,20)/t14-,17+/m1/s1
InChIKeyHWDKEZNQGTZIQO-PBHICJAKSA-N
XLogP2.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The IUPAC name of (5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (CID 124911090) is (5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.
What is the SMILES notation for (5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The canonical SMILES for (5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is c1cnc(N[C@@H]2CCO[C@@]3(CCN(C4CCCC4)C3)C2)nc1.
What is the InChIKey of (5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The InChIKey is HWDKEZNQGTZIQO-PBHICJAKSA-N. The full InChI is InChI=1S/C17H26N4O/c1-2-5-15(4-1)21-10-7-17(13-21)12-14(6-11-22-17)20-16-18-8-3-9-19-16/h3,8-9,14-15H,1-2,4-7,10-13H2,(H,18,19,20)/t14-,17+/m1/s1.
What are the key properties of (5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
(5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine has a molecular weight of 302.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-2-cyclopentyl-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is sourced from PubChem (CID 124911090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).