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

C22H22N4O3 — CID 131662281

IUPAC[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(COCc3cnc(NCc4ccco4)nc32)C1
InChIInChI=1S/C22H22N4O3/c27-20(16-5-2-1-3-6-16)26-9-8-22(14-26)15-28-13-17-11-23-21(25-19(17)22)24-12-18-7-4-10-29-18/h1-7,10-11H,8-9,12-15H2,(H,23,24,25)
InChIKeyAKRSTMPCUVSIMD-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.00
Rot. Bonds4

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

[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone (PubChem CID 131662281) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone
PubChem CID131662281
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(COCc3cnc(NCc4ccco4)nc32)C1
InChIInChI=1S/C22H22N4O3/c27-20(16-5-2-1-3-6-16)26-9-8-22(14-26)15-28-13-17-11-23-21(25-19(17)22)24-12-18-7-4-10-29-18/h1-7,10-11H,8-9,12-15H2,(H,23,24,25)
InChIKeyAKRSTMPCUVSIMD-UHFFFAOYSA-N
XLogP3.00
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(benzylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-4-ylmethanone
CID 131658966
1-[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-methoxyethanone
CID 118739280
1-[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one
CID 131659487
[2-[(3-methylimidazol-4-yl)methylamino]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(4-methylphenyl)methanone
CID 131662610
N-(furan-2-ylmethyl)-1'-[(3-methylphenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 131656961
2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 118739076
1-[(8R)-2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]ethanone
CID 97401493
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
[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone
CID 97415558
[2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(furan-3-yl)methanone
CID 131651039
2-(cyclopropylmethylamino)-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 134075875

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone?
The IUPAC name of [2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone (CID 131662281) is [2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone.
What is the SMILES notation for [2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone?
The canonical SMILES for [2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC2(COCc3cnc(NCc4ccco4)nc32)C1.
What is the InChIKey of [2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone?
The InChIKey is AKRSTMPCUVSIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-20(16-5-2-1-3-6-16)26-9-8-22(14-26)15-28-13-17-11-23-21(25-19(17)22)24-12-18-7-4-10-29-18/h1-7,10-11H,8-9,12-15H2,(H,23,24,25).
What are the key properties of [2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone?
[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone has a molecular weight of 390.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone is sourced from PubChem (CID 131662281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).