4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene

C18H25N3O — CID 164690274

IUPAC4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene
SMILESCC1=CC2(CCN(c3nc(C)c4c(n3)CCC4)CC2)OCC1
InChIInChI=1S/C18H25N3O/c1-13-6-11-22-18(12-13)7-9-21(10-8-18)17-19-14(2)15-4-3-5-16(15)20-17/h12H,3-11H2,1-2H3
InChIKeyGTXBFTJUBKYFDO-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.98
Rot. Bonds1

About 4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene

4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene (PubChem CID 164690274) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene.

Molecular Properties

Compound Name4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene
PubChem CID164690274
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene
SMILESCC1=CC2(CCN(c3nc(C)c4c(n3)CCC4)CC2)OCC1
InChIInChI=1S/C18H25N3O/c1-13-6-11-22-18(12-13)7-9-21(10-8-18)17-19-14(2)15-4-3-5-16(15)20-17/h12H,3-11H2,1-2H3
InChIKeyGTXBFTJUBKYFDO-UHFFFAOYSA-N
XLogP2.98
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene?
The IUPAC name of 4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene (CID 164690274) is 4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene.
What is the SMILES notation for 4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene?
The canonical SMILES for 4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene is CC1=CC2(CCN(c3nc(C)c4c(n3)CCC4)CC2)OCC1.
What is the InChIKey of 4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene?
The InChIKey is GTXBFTJUBKYFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-6-11-22-18(12-13)7-9-21(10-8-18)17-19-14(2)15-4-3-5-16(15)20-17/h12H,3-11H2,1-2H3.
What are the key properties of 4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene?
4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene has a molecular weight of 299.42 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undec-4-ene is sourced from PubChem (CID 164690274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).