3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one

C20H30N4O3 — CID 131653847

IUPAC3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one
SMILESCC(C)(C)CC(=O)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C20H30N4O3/c1-19(2,3)10-16(25)24-5-4-20(13-24)14-27-12-15-11-21-18(22-17(15)20)23-6-8-26-9-7-23/h11H,4-10,12-14H2,1-3H3
InChIKeyOHLRUWRDNWWUIM-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.75
Rot. Bonds2

About 3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one

3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one (PubChem CID 131653847) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one
PubChem CID131653847
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one
SMILESCC(C)(C)CC(=O)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1
InChIInChI=1S/C20H30N4O3/c1-19(2,3)10-16(25)24-5-4-20(13-24)14-27-12-15-11-21-18(22-17(15)20)23-6-8-26-9-7-23/h11H,4-10,12-14H2,1-3H3
InChIKeyOHLRUWRDNWWUIM-UHFFFAOYSA-N
XLogP1.75
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(8R)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-[(3S)-oxolan-3-yl]methanone
CID 124821921
1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid
CID 155859921
1'-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];hydrochloride
CID 155831481
[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-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone
CID 133143248
[2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155849548
2-(1-methoxycyclobutyl)-1-(2-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 131639468
1-[(8R)-2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]ethanone
CID 97401493
1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
CID 134075883
4-methyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)pentan-1-one
CID 131661059
(4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone
CID 131651496
1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid)
CID 155828058

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one?
The IUPAC name of 3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one (CID 131653847) is 3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one is CC(C)(C)CC(=O)N1CCC2(COCc3cnc(N4CCOCC4)nc32)C1.
What is the InChIKey of 3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one?
The InChIKey is OHLRUWRDNWWUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-19(2,3)10-16(25)24-5-4-20(13-24)14-27-12-15-11-21-18(22-17(15)20)23-6-8-26-9-7-23/h11H,4-10,12-14H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one?
3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one has a molecular weight of 374.49 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one is sourced from PubChem (CID 131653847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).