[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone

C20H24N4O3 — CID 97415558

IUPAC[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC[C@]3(COCc4cnc(N(C)C)nc43)C2)c1
InChIInChI=1S/C20H24N4O3/c1-23(2)19-21-10-15-11-27-13-20(17(15)22-19)7-8-24(12-20)18(25)14-5-4-6-16(9-14)26-3/h4-6,9-10H,7-8,11-13H2,1-3H3/t20-/m1/s1
InChIKeyNDKDVTREIIEMND-HXUWFJFHSA-N
MW368.44 g/mol
LogP1.87
Rot. Bonds3

About [(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone

[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone (PubChem CID 97415558) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone
PubChem CID97415558
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC[C@]3(COCc4cnc(N(C)C)nc43)C2)c1
InChIInChI=1S/C20H24N4O3/c1-23(2)19-21-10-15-11-27-13-20(17(15)22-19)7-8-24(12-20)18(25)14-5-4-6-16(9-14)26-3/h4-6,9-10H,7-8,11-13H2,1-3H3/t20-/m1/s1
InChIKeyNDKDVTREIIEMND-HXUWFJFHSA-N
XLogP1.87
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one
CID 133144311
1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone
CID 124819429
(8S)-1'-[(3-methoxy-2-nitrophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 124815441
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone
CID 135108033
1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 134075887
[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone
CID 131662281
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
CID 163314059
[2-(benzylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-4-ylmethanone
CID 131658966
1'-[(3-methoxyphenyl)methyl]-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 131655121
1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
CID 134075883
(3S)-1-(3-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020177
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666

Frequently Asked Questions

What is the IUPAC name of [(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone (CID 97415558) is [(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CC[C@]3(COCc4cnc(N(C)C)nc43)C2)c1.
What is the InChIKey of [(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone?
The InChIKey is NDKDVTREIIEMND-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23(2)19-21-10-15-11-27-13-20(17(15)22-19)7-8-24(12-20)18(25)14-5-4-6-16(9-14)26-3/h4-6,9-10H,7-8,11-13H2,1-3H3/t20-/m1/s1.
What are the key properties of [(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone?
[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone has a molecular weight of 368.44 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 97415558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).