9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane

C17H22N4O — CID 72857697

IUPAC9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCc1cc(C)c2c(N3CCOC4(CCCC4)C3)ncnc2n1
InChIInChI=1S/C17H22N4O/c1-12-9-13(2)20-15-14(12)16(19-11-18-15)21-7-8-22-17(10-21)5-3-4-6-17/h9,11H,3-8,10H2,1-2H3
InChIKeyAOPACGYHKGKQRO-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.79
Rot. Bonds1

About 9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane

9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 72857697) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID72857697
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCc1cc(C)c2c(N3CCOC4(CCCC4)C3)ncnc2n1
InChIInChI=1S/C17H22N4O/c1-12-9-13(2)20-15-14(12)16(19-11-18-15)21-7-8-22-17(10-21)5-3-4-6-17/h9,11H,3-8,10H2,1-2H3
InChIKeyAOPACGYHKGKQRO-UHFFFAOYSA-N
XLogP2.79
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane (CID 72857697) is 9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane is Cc1cc(C)c2c(N3CCOC4(CCCC4)C3)ncnc2n1.
What is the InChIKey of 9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is AOPACGYHKGKQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-9-13(2)20-15-14(12)16(19-11-18-15)21-7-8-22-17(10-21)5-3-4-6-17/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane?
9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 298.39 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 72857697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).