6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C25H25N3O3 — CID 108778692

IUPAC6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(c3cc(-c4ccc(C)cc4)nc(C)n3)C1)O2
InChIInChI=1S/C25H25N3O3/c1-16-4-6-18(7-5-16)21-13-24(27-17(2)26-21)28-11-10-25(15-28)14-22(29)20-12-19(30-3)8-9-23(20)31-25/h4-9,12-13H,10-11,14-15H2,1-3H3
InChIKeyCQUPLFVYNQZSDC-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.38
Rot. Bonds3

About 6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 108778692) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID108778692
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(c3cc(-c4ccc(C)cc4)nc(C)n3)C1)O2
InChIInChI=1S/C25H25N3O3/c1-16-4-6-18(7-5-16)21-13-24(27-17(2)26-21)28-11-10-25(15-28)14-22(29)20-12-19(30-3)8-9-23(20)31-25/h4-9,12-13H,10-11,14-15H2,1-3H3
InChIKeyCQUPLFVYNQZSDC-UHFFFAOYSA-N
XLogP4.38
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774888
1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108778686
7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774871
6-methoxy-1'-(6-methylpyridazin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774848
6,8-dichloro-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774781
1'-(3-chloroquinoxalin-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108778722
6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774501
1'-(2-chloropropanoyl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746453
ethyl 4-(6-methoxy-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)-2-(3-methylphenyl)pyrimidine-5-carboxylate
CID 108778715
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774874
methyl 6-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
CID 108774813

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 108778692) is 6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is COc1ccc2c(c1)C(=O)CC1(CCN(c3cc(-c4ccc(C)cc4)nc(C)n3)C1)O2.
What is the InChIKey of 6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is CQUPLFVYNQZSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-16-4-6-18(7-5-16)21-13-24(27-17(2)26-21)28-11-10-25(15-28)14-22(29)20-12-19(30-3)8-9-23(20)31-25/h4-9,12-13H,10-11,14-15H2,1-3H3.
What are the key properties of 6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 415.49 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 108778692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).