4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

C18H28N4O2 — CID 97204819

IUPAC4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCO[C@H]1CCCOC12CCN(c1nc(N)nc3c1CCCC3)CC2
InChIInChI=1S/C18H28N4O2/c1-23-15-7-4-12-24-18(15)8-10-22(11-9-18)16-13-5-2-3-6-14(13)20-17(19)21-16/h15H,2-12H2,1H3,(H2,19,20,21)/t15-/m0/s1
InChIKeyJYNRYUNLQYUICZ-HNNXBMFYSA-N
MW332.45 g/mol
LogP2.10
Rot. Bonds2

About 4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 97204819) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID97204819
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCO[C@H]1CCCOC12CCN(c1nc(N)nc3c1CCCC3)CC2
InChIInChI=1S/C18H28N4O2/c1-23-15-7-4-12-24-18(15)8-10-22(11-9-18)16-13-5-2-3-6-14(13)20-17(19)21-16/h15H,2-12H2,1H3,(H2,19,20,21)/t15-/m0/s1
InChIKeyJYNRYUNLQYUICZ-HNNXBMFYSA-N
XLogP2.10
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine with MolForge

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Related Compounds

N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide
CID 97198298
4-[2-(2-methoxyethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 155955250
1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone
CID 110156309
(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124965745
[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
CID 124969063
4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 72856081
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97198788
(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124967902
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 97454136
1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97186942
[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 97186589
(2R,4R)-9-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154563738

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (CID 97204819) is 4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is CO[C@H]1CCCOC12CCN(c1nc(N)nc3c1CCCC3)CC2.
What is the InChIKey of 4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is JYNRYUNLQYUICZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-23-15-7-4-12-24-18(15)8-10-22(11-9-18)16-13-5-2-3-6-14(13)20-17(19)21-16/h15H,2-12H2,1H3,(H2,19,20,21)/t15-/m0/s1.
What are the key properties of 4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 332.45 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 97204819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).