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

C24H23N3O2 — CID 131656054

IUPAC(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone
SMILESCc1nc(-c2ccccc2)nc2c1COCC21CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C24H23N3O2/c1-17-20-14-29-16-24(21(20)26-22(25-17)18-8-4-2-5-9-18)12-13-27(15-24)23(28)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3
InChIKeyZHXXJRWRVQUETD-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.77
Rot. Bonds2

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

(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone (PubChem CID 131656054) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone
PubChem CID131656054
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone
SMILESCc1nc(-c2ccccc2)nc2c1COCC21CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C24H23N3O2/c1-17-20-14-29-16-24(21(20)26-22(25-17)18-8-4-2-5-9-18)12-13-27(15-24)23(28)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3
InChIKeyZHXXJRWRVQUETD-UHFFFAOYSA-N
XLogP3.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone
CID 131649052
(4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone
CID 131651496
2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 118739475
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
[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone
CID 131662281
[2-(benzylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-4-ylmethanone
CID 131658966
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
1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one
CID 131658910
N,N-dimethyl-2-[(8S)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]acetamide
CID 97401528
1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
CID 134075883

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone?
The IUPAC name of (4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone (CID 131656054) is (4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone.
What is the SMILES notation for (4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone?
The canonical SMILES for (4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone is Cc1nc(-c2ccccc2)nc2c1COCC21CCN(C(=O)c2ccccc2)C1.
What is the InChIKey of (4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone?
The InChIKey is ZHXXJRWRVQUETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17-20-14-29-16-24(21(20)26-22(25-17)18-8-4-2-5-9-18)12-13-27(15-24)23(28)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3.
What are the key properties of (4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone?
(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone has a molecular weight of 385.47 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone is sourced from PubChem (CID 131656054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).