5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

C17H18N4O2 — CID 58466725

IUPAC5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCOc1ccc(-c2cncnc2)c2c1CC1(CC2)COC(N)=N1
InChIInChI=1S/C17H18N4O2/c1-22-15-3-2-12(11-7-19-10-20-8-11)13-4-5-17(6-14(13)15)9-23-16(18)21-17/h2-3,7-8,10H,4-6,9H2,1H3,(H2,18,21)
InChIKeyAOHQECVWQNDWPH-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.72
Rot. Bonds2

About 5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58466725) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58466725
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCOc1ccc(-c2cncnc2)c2c1CC1(CC2)COC(N)=N1
InChIInChI=1S/C17H18N4O2/c1-22-15-3-2-12(11-7-19-10-20-8-11)13-4-5-17(6-14(13)15)9-23-16(18)21-17/h2-3,7-8,10H,4-6,9H2,1H3,(H2,18,21)
InChIKeyAOHQECVWQNDWPH-UHFFFAOYSA-N
XLogP1.72
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4s)-2'-(2,2-Dimethylpropoxy)-7'-(Pyrimidin-5-Yl)spiro[1,3-Oxazole-4,9'-Xanthen]-2-Amine
CID 45256109
(4s)-2'-(2-Methylpropoxy)-7'-(Pyrimidin-5-Yl)spiro[1,3-Oxazole-4,9'-Xanthen]-2-Amine
CID 45256294
(2s)-2-(4-Methoxy-3,5-Dimethylphenyl)-5-Methyl-2-(3-Pyrimidin-5-Ylphenyl)-2h-Imidazol-4-Amine
CID 49836033
5-[(4-Methoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine
CID 13112763
5-[(4-Ethoxy-2,3,5,6-tetramethylphenyl)methyl]pyrimidine-2,4-diamine
CID 13112764
2,4-Diamino-5-(5,6,7-trimethoxy-2-naphthylmethyl)pyrimidine hydrochloride
CID 23323052
(4S)-2'-propoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 45255915
(4S)-2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 45256104
2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 45256107
(R)-2'-(3,3-dimethylbutyl)-7'-(pyrimidin-5-yl)-5H-spiro[oxazole-4,9'-xanthen]-2-amine
CID 45256296
(4S)-2'-(2-fluoro-2-methylpropoxy)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 45256478
(4S)-2'-(2-methoxy-2-methylpropoxy)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 45256479

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 58466725) is 5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is COc1ccc(-c2cncnc2)c2c1CC1(CC2)COC(N)=N1.
What is the InChIKey of 5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is AOHQECVWQNDWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-22-15-3-2-12(11-7-19-10-20-8-11)13-4-5-17(6-14(13)15)9-23-16(18)21-17/h2-3,7-8,10H,4-6,9H2,1H3,(H2,18,21).
What are the key properties of 5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 310.36 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58466725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).