8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione

C18H23N3O3 — CID 97277149

IUPAC8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1nc(C)c2c(n1)O[C@H](CN1C(=O)CC3(CCCC3)CC1=O)C2
InChIInChI=1S/C18H23N3O3/c1-11-14-7-13(24-17(14)20-12(2)19-11)10-21-15(22)8-18(9-16(21)23)5-3-4-6-18/h13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyQCXALDDPXQKPRE-ZDUSSCGKSA-N
MW329.40 g/mol
LogP2.11
Rot. Bonds2

About 8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione

8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 97277149) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID97277149
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1nc(C)c2c(n1)O[C@H](CN1C(=O)CC3(CCCC3)CC1=O)C2
InChIInChI=1S/C18H23N3O3/c1-11-14-7-13(24-17(14)20-12(2)19-11)10-21-15(22)8-18(9-16(21)23)5-3-4-6-18/h13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyQCXALDDPXQKPRE-ZDUSSCGKSA-N
XLogP2.11
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione (CID 97277149) is 8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione is Cc1nc(C)c2c(n1)O[C@H](CN1C(=O)CC3(CCCC3)CC1=O)C2.
What is the InChIKey of 8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is QCXALDDPXQKPRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-14-7-13(24-17(14)20-12(2)19-11)10-21-15(22)8-18(9-16(21)23)5-3-4-6-18/h13H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 329.40 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(6S)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 97277149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).