1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone

C25H25N3O2 — CID 131649052

IUPAC1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone
SMILESCc1nc(-c2ccccc2)nc2c1COCC21CCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C25H25N3O2/c1-18-21-15-30-17-25(23(21)27-24(26-18)20-10-6-3-7-11-20)12-13-28(16-25)22(29)14-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3
InChIKeyJZBBEHLLBYBTIK-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.70
Rot. Bonds3

About 1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone

1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone (PubChem CID 131649052) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone
PubChem CID131649052
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone
SMILESCc1nc(-c2ccccc2)nc2c1COCC21CCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C25H25N3O2/c1-18-21-15-30-17-25(23(21)27-24(26-18)20-10-6-3-7-11-20)12-13-28(16-25)22(29)14-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3
InChIKeyJZBBEHLLBYBTIK-UHFFFAOYSA-N
XLogP3.70
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone
CID 131656054
2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 118739475
(4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone
CID 131651496
4-methyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)pentan-1-one
CID 131661059
2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 118739076
1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
CID 134075883
N,N-dimethyl-2-[(8S)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]acetamide
CID 97401528
(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109908
1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 134075887
(8S)-1'-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 97401526
[2-(benzylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-4-ylmethanone
CID 131658966
1-[3-fluoro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 166600535

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone?
The IUPAC name of 1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone (CID 131649052) is 1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone.
What is the SMILES notation for 1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone?
The canonical SMILES for 1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone is Cc1nc(-c2ccccc2)nc2c1COCC21CCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone?
The InChIKey is JZBBEHLLBYBTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18-21-15-30-17-25(23(21)27-24(26-18)20-10-6-3-7-11-20)12-13-28(16-25)22(29)14-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3.
What are the key properties of 1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone?
1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone has a molecular weight of 399.49 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone is sourced from PubChem (CID 131649052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).