(2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one

C19H18BrN3O2 — CID 87298473

IUPAC(2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one
SMILESC[C@]1(c2ccccc2)CC2(CC(=O)NC(N)=N2)c2cc(Br)ccc2O1
InChIInChI=1S/C19H18BrN3O2/c1-18(12-5-3-2-4-6-12)11-19(10-16(24)22-17(21)23-19)14-9-13(20)7-8-15(14)25-18/h2-9H,10-11H2,1H3,(H3,21,22,23,24)/t18-,19?/m1/s1
InChIKeyPQDXJHRCQXICIV-MRTLOADZSA-N
MW400.28 g/mol
LogP3.18
Rot. Bonds1

About (2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one

(2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one (PubChem CID 87298473) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is (2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one.

Molecular Properties

Compound Name(2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one
PubChem CID87298473
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name(2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one
SMILESC[C@]1(c2ccccc2)CC2(CC(=O)NC(N)=N2)c2cc(Br)ccc2O1
InChIInChI=1S/C19H18BrN3O2/c1-18(12-5-3-2-4-6-12)11-19(10-16(24)22-17(21)23-19)14-9-13(20)7-8-15(14)25-18/h2-9H,10-11H2,1H3,(H3,21,22,23,24)/t18-,19?/m1/s1
InChIKeyPQDXJHRCQXICIV-MRTLOADZSA-N
XLogP3.18
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4r)-2'-Amino-6-Bromo-1',2,2-Trimethyl-2,3-Dihydrospiro[chromene-4,4'-Imidazol]-5'(1'h)-One
CID 58423762
(4S)-6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
CID 135418466
6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
CID 135418467
6-bromo-2'-ethylimino-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-4'-one
CID 135430552
6-bromo-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
CID 135442305
6-bromo-2,2-dimethyl-2'-propan-2-yliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
CID 135517357
(4R)-2'-amino-6-bromo-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 137347967
(4R)-6-bromo-2,2-dimethyl-2'-propyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
CID 135516856
2-amino-6'-bromo-2'-(3-fluorophenyl)spiro[1H-imidazole-4,4'-2,3-dihydrochromene]-5-one
CID 58423764
(2'R)-2-amino-6'-bromo-2'-phenyl-2'-(2,2,2-trifluoroethyl)spiro[1H-imidazole-4,4'-3H-chromene]-5-one
CID 67175701
(2'R)-2-amino-6'-bromo-2'-(3-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
CID 67176044
(2'R)-2-amino-6'-bromo-2'-(2-fluorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
CID 67177207

Frequently Asked Questions

What is the IUPAC name of (2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one?
The IUPAC name of (2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one (CID 87298473) is (2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one.
What is the SMILES notation for (2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one?
The canonical SMILES for (2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one is C[C@]1(c2ccccc2)CC2(CC(=O)NC(N)=N2)c2cc(Br)ccc2O1.
What is the InChIKey of (2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one?
The InChIKey is PQDXJHRCQXICIV-MRTLOADZSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-18(12-5-3-2-4-6-12)11-19(10-16(24)22-17(21)23-19)14-9-13(20)7-8-15(14)25-18/h2-9H,10-11H2,1H3,(H3,21,22,23,24)/t18-,19?/m1/s1.
What are the key properties of (2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one?
(2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one has a molecular weight of 400.28 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one is sourced from PubChem (CID 87298473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).