pyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C17H20N6O2 — CID 97477786

IUPACpyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1ccncn1)N1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1
InChIInChI=1S/C17H20N6O2/c24-15(14-2-7-18-12-21-14)23-8-4-17(11-23)10-13(3-9-25-17)22-16-19-5-1-6-20-16/h1-2,5-7,12-13H,3-4,8-11H2,(H,19,20,22)/t13-,17-/m1/s1
InChIKeyJDXKZOBRQRXKBY-CXAGYDPISA-N
MW340.39 g/mol
LogP1.14
Rot. Bonds3

About pyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

pyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 97477786) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is pyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namepyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID97477786
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Namepyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1ccncn1)N1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1
InChIInChI=1S/C17H20N6O2/c24-15(14-2-7-18-12-21-14)23-8-4-17(11-23)10-13(3-9-25-17)22-16-19-5-1-6-20-16/h1-2,5-7,12-13H,3-4,8-11H2,(H,19,20,22)/t13-,17-/m1/s1
InChIKeyJDXKZOBRQRXKBY-CXAGYDPISA-N
XLogP1.14
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

2-cyclopropyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrimidine-4-carboxamide
CID 71980130
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
CID 97419481
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
CID 97419711
(1-Methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 118740735
N-{2-[(Oxan-4-YL)[1-(propan-2-YL)piperidin-4-YL]amino]ethyl}pyrimidine-4-carboxamide
CID 132440217
2-pyrrolidin-1-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpyrimidine-4-carboxamide
CID 136517614
(2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone
CID 164642625
(R)-2-(1H-Imidazol-1-yl)-N-(tetrahydro-2H-pyran-3-yl)pyrimidine-4-carboxamide
CID 170610867
[(3S,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-pyrazol-5-yl)methanone
CID 97489477
[(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-pyrazol-5-yl)methanone
CID 97489479
[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-pyrazol-5-yl)methanone
CID 97489481
[(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1H-pyrazol-5-yl)methanone
CID 97489484

Frequently Asked Questions

What is the IUPAC name of pyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of pyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 97477786) is pyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for pyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for pyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is O=C(c1ccncn1)N1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1.
What is the InChIKey of pyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is JDXKZOBRQRXKBY-CXAGYDPISA-N. The full InChI is InChI=1S/C17H20N6O2/c24-15(14-2-7-18-12-21-14)23-8-4-17(11-23)10-13(3-9-25-17)22-16-19-5-1-6-20-16/h1-2,5-7,12-13H,3-4,8-11H2,(H,19,20,22)/t13-,17-/m1/s1.
What are the key properties of pyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
pyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 340.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-4-yl-[(5R,9R)-9-(pyrimidin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97477786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).