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

C17H21N5O — CID 97475455

IUPAC(5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESc1ccc(N[C@@H]2CCO[C@]3(CCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C17H21N5O/c1-2-7-18-15(4-1)21-14-5-11-23-17(12-14)6-10-22(13-17)16-19-8-3-9-20-16/h1-4,7-9,14H,5-6,10-13H2,(H,18,21)/t14-,17-/m1/s1
InChIKeyBNNNMQRREPPEDG-RHSMWYFYSA-N
MW311.39 g/mol
LogP2.11
Rot. Bonds3

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

(5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (PubChem CID 97475455) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
PubChem CID97475455
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESc1ccc(N[C@@H]2CCO[C@]3(CCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C17H21N5O/c1-2-7-18-15(4-1)21-14-5-11-23-17(12-14)6-10-22(13-17)16-19-8-3-9-20-16/h1-4,7-9,14H,5-6,10-13H2,(H,18,21)/t14-,17-/m1/s1
InChIKeyBNNNMQRREPPEDG-RHSMWYFYSA-N
XLogP2.11
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(5R,9R)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97477327
(5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124910174
phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 124803332
N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97475846
(3,3-difluorocyclobutyl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 131690340
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 131689946
(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97475999
(2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477782
3-methylsulfonyl-1-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 131690057
(5R,9R)-N-pyridin-2-yl-2-(thiophen-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-amine;bis(2,2,2-trifluoroacetic acid)
CID 155846143
8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131659289
N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 47054044

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The IUPAC name of (5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (CID 97475455) is (5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.
What is the SMILES notation for (5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The canonical SMILES for (5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is c1ccc(N[C@@H]2CCO[C@]3(CCN(c4ncccn4)C3)C2)nc1.
What is the InChIKey of (5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The InChIKey is BNNNMQRREPPEDG-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-7-18-15(4-1)21-14-5-11-23-17(12-14)6-10-22(13-17)16-19-8-3-9-20-16/h1-4,7-9,14H,5-6,10-13H2,(H,18,21)/t14-,17-/m1/s1.
What are the key properties of (5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
(5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine has a molecular weight of 311.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is sourced from PubChem (CID 97475455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).