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

C12H18N4O — CID 97477346

IUPAC(5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESc1cnc(N[C@@H]2CCO[C@]3(CCNC3)C2)nc1
InChIInChI=1S/C12H18N4O/c1-4-14-11(15-5-1)16-10-2-7-17-12(8-10)3-6-13-9-12/h1,4-5,10,13H,2-3,6-9H2,(H,14,15,16)/t10-,12-/m1/s1
InChIKeyRDIRFHCGCIPOPO-ZYHUDNBSSA-N
MW234.30 g/mol
LogP0.80
Rot. Bonds2

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

(5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (PubChem CID 97477346) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
PubChem CID97477346
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESc1cnc(N[C@@H]2CCO[C@]3(CCNC3)C2)nc1
InChIInChI=1S/C12H18N4O/c1-4-14-11(15-5-1)16-10-2-7-17-12(8-10)3-6-13-9-12/h1,4-5,10,13H,2-3,6-9H2,(H,14,15,16)/t10-,12-/m1/s1
InChIKeyRDIRFHCGCIPOPO-ZYHUDNBSSA-N
XLogP0.80
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The IUPAC name of (5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (CID 97477346) is (5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.
What is the SMILES notation for (5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The canonical SMILES for (5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is c1cnc(N[C@@H]2CCO[C@]3(CCNC3)C2)nc1.
What is the InChIKey of (5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The InChIKey is RDIRFHCGCIPOPO-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-14-11(15-5-1)16-10-2-7-17-12(8-10)3-6-13-9-12/h1,4-5,10,13H,2-3,6-9H2,(H,14,15,16)/t10-,12-/m1/s1.
What are the key properties of (5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
(5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine has a molecular weight of 234.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is sourced from PubChem (CID 97477346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).