(4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine

C18H20N4O — CID 66683659

IUPAC(4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
SMILESCC1(C)Cc2ccc(-c3cncnc3)cc2[C@@]2(COC(N)=N2)C1
InChIInChI=1S/C18H20N4O/c1-17(2)6-13-4-3-12(14-7-20-11-21-8-14)5-15(13)18(9-17)10-23-16(19)22-18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,19,22)/t18-/m0/s1
InChIKeyINXKKZAEXZKHNZ-SFHVURJKSA-N
MW308.38 g/mol
LogP2.66
Rot. Bonds1

About (4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine

(4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 66683659) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
PubChem CID66683659
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name(4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
SMILESCC1(C)Cc2ccc(-c3cncnc3)cc2[C@@]2(COC(N)=N2)C1
InChIInChI=1S/C18H20N4O/c1-17(2)6-13-4-3-12(14-7-20-11-21-8-14)5-15(13)18(9-17)10-23-16(19)22-18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,19,22)/t18-/m0/s1
InChIKeyINXKKZAEXZKHNZ-SFHVURJKSA-N
XLogP2.66
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of (4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine (CID 66683659) is (4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for (4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine is CC1(C)Cc2ccc(-c3cncnc3)cc2[C@@]2(COC(N)=N2)C1.
What is the InChIKey of (4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is INXKKZAEXZKHNZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N4O/c1-17(2)6-13-4-3-12(14-7-20-11-21-8-14)5-15(13)18(9-17)10-23-16(19)22-18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,19,22)/t18-/m0/s1.
What are the key properties of (4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine?
(4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 308.38 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 66683659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).