2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol

C16H16N4O2 — CID 58466630

IUPAC2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol
SMILESNC1=NC2(CCc3c(O)ccc(-c4cncnc4)c3C2)CO1
InChIInChI=1S/C16H16N4O2/c17-15-20-16(8-22-15)4-3-12-13(5-16)11(1-2-14(12)21)10-6-18-9-19-7-10/h1-2,6-7,9,21H,3-5,8H2,(H2,17,20)
InChIKeyIRHAPAAEFIMOEE-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.42
Rot. Bonds1

About 2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol

2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol (PubChem CID 58466630) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol.

Molecular Properties

Compound Name2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol
PubChem CID58466630
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol
SMILESNC1=NC2(CCc3c(O)ccc(-c4cncnc4)c3C2)CO1
InChIInChI=1S/C16H16N4O2/c17-15-20-16(8-22-15)4-3-12-13(5-16)11(1-2-14(12)21)10-6-18-9-19-7-10/h1-2,6-7,9,21H,3-5,8H2,(H2,17,20)
InChIKeyIRHAPAAEFIMOEE-UHFFFAOYSA-N
XLogP1.42
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol with MolForge

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Related Compounds

(3S)-5-methoxy-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58467047
5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile
CID 70228414
8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 76794791
8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 136504311
(3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467273
8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467280
N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide
CID 70230307
5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine
CID 71059375
N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-N-ethyl-1-methylsulfonylformamide
CID 91294112
8-methoxy-5-[1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 91298590
[(2S)-2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl]methanol;(3S)-8-bromo-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];1,1,1-trimethoxyethane
CID 159029419
2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol
CID 58466141

Frequently Asked Questions

What is the IUPAC name of 2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol?
The IUPAC name of 2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol (CID 58466630) is 2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol.
What is the SMILES notation for 2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol?
The canonical SMILES for 2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol is NC1=NC2(CCc3c(O)ccc(-c4cncnc4)c3C2)CO1.
What is the InChIKey of 2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol?
The InChIKey is IRHAPAAEFIMOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-15-20-16(8-22-15)4-3-12-13(5-16)11(1-2-14(12)21)10-6-18-9-19-7-10/h1-2,6-7,9,21H,3-5,8H2,(H2,17,20).
What are the key properties of 2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol?
2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol has a molecular weight of 296.33 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol is sourced from PubChem (CID 58466630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).