(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

C18H20N4O2 — CID 58466687

IUPAC(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCOc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)N=C(N)O[C@H]1C
InChIInChI=1S/C18H20N4O2/c1-11-18(22-17(19)24-11)6-5-14-13(12-8-20-10-21-9-12)3-4-16(23-2)15(14)7-18/h3-4,8-11H,5-7H2,1-2H3,(H2,19,22)/t11-,18+/m0/s1
InChIKeyHCBQTBZOWOJKKG-BBATYDOGSA-N
MW324.38 g/mol
LogP2.11
Rot. Bonds2

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

(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58466687) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58466687
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCOc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)N=C(N)O[C@H]1C
InChIInChI=1S/C18H20N4O2/c1-11-18(22-17(19)24-11)6-5-14-13(12-8-20-10-21-9-12)3-4-16(23-2)15(14)7-18/h3-4,8-11H,5-7H2,1-2H3,(H2,19,22)/t11-,18+/m0/s1
InChIKeyHCBQTBZOWOJKKG-BBATYDOGSA-N
XLogP2.11
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 58466687) is (3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is COc1ccc(-c2cncnc2)c2c1C[C@@]1(CC2)N=C(N)O[C@H]1C.
What is the InChIKey of (3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is HCBQTBZOWOJKKG-BBATYDOGSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-18(22-17(19)24-11)6-5-14-13(12-8-20-10-21-9-12)3-4-16(23-2)15(14)7-18/h3-4,8-11H,5-7H2,1-2H3,(H2,19,22)/t11-,18+/m0/s1.
What are the key properties of (3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
(3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 324.38 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5'S)-5-methoxy-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58466687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).