6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione

C15H23N3O5 — CID 164691314

IUPAC6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESC[C@]1(O)CC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)OC[C@@H]1O
InChIInChI=1S/C15H23N3O5/c1-14(22)9-15(23-8-11(14)19)2-4-18(5-3-15)7-10-6-12(20)17-13(21)16-10/h6,11,19,22H,2-5,7-9H2,1H3,(H2,16,17,20,21)/t11-,14-/m0/s1
InChIKeyDCOZGHNDWGAWHE-FZMZJTMJSA-N
MW325.37 g/mol
LogP-1.07
Rot. Bonds2

About 6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione

6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 164691314) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID164691314
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESC[C@]1(O)CC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)OC[C@@H]1O
InChIInChI=1S/C15H23N3O5/c1-14(22)9-15(23-8-11(14)19)2-4-18(5-3-15)7-10-6-12(20)17-13(21)16-10/h6,11,19,22H,2-5,7-9H2,1H3,(H2,16,17,20,21)/t11-,14-/m0/s1
InChIKeyDCOZGHNDWGAWHE-FZMZJTMJSA-N
XLogP-1.07
TPSA118.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione (CID 164691314) is 6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione is C[C@]1(O)CC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)OC[C@@H]1O.
What is the InChIKey of 6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DCOZGHNDWGAWHE-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-14(22)9-15(23-8-11(14)19)2-4-18(5-3-15)7-10-6-12(20)17-13(21)16-10/h6,11,19,22H,2-5,7-9H2,1H3,(H2,16,17,20,21)/t11-,14-/m0/s1.
What are the key properties of 6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 325.37 g/mol, XLogP of -1.07, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 164691314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).