(2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one

C21H35N5O2 — CID 133144311

IUPAC(2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one
SMILESCCCN(CCC)[C@H](C)C(=O)N1CCC2(COCc3cnc(N(C)C)nc32)C1
InChIInChI=1S/C21H35N5O2/c1-6-9-25(10-7-2)16(3)19(27)26-11-8-21(14-26)15-28-13-17-12-22-20(24(4)5)23-18(17)21/h12,16H,6-11,13-15H2,1-5H3/t16-,21?/m1/s1
InChIKeyZIKUGKRACROTPK-UJONTBEJSA-N
MW389.54 g/mol
LogP2.05
Rot. Bonds7

About (2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one

(2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one (PubChem CID 133144311) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is (2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one
PubChem CID133144311
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name(2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one
SMILESCCCN(CCC)[C@H](C)C(=O)N1CCC2(COCc3cnc(N(C)C)nc32)C1
InChIInChI=1S/C21H35N5O2/c1-6-9-25(10-7-2)16(3)19(27)26-11-8-21(14-26)15-28-13-17-12-22-20(24(4)5)23-18(17)21/h12,16H,6-11,13-15H2,1-5H3/t16-,21?/m1/s1
InChIKeyZIKUGKRACROTPK-UJONTBEJSA-N
XLogP2.05
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one with MolForge

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Related Compounds

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)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(3-methoxyphenyl)methanone
CID 97415558
(5-bromofuran-2-yl)-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone;2,2,2-trifluoroacetic acid
CID 155848549
2-(cyclopropylmethylamino)-N-propan-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 134075875
1-[(8R)-2-(cyclopropylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]ethanone
CID 97401493
4-methyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)pentan-1-one
CID 131661059
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-1'-[(5-nitrothiophen-2-yl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155827973
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
1-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-4-methylpentan-1-one
CID 131658910
N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 131659322
2-(1-methoxycyclobutyl)-1-(2-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 131639468

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one?
The IUPAC name of (2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one (CID 133144311) is (2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one.
What is the SMILES notation for (2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one?
The canonical SMILES for (2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one is CCCN(CCC)[C@H](C)C(=O)N1CCC2(COCc3cnc(N(C)C)nc32)C1.
What is the InChIKey of (2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one?
The InChIKey is ZIKUGKRACROTPK-UJONTBEJSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-6-9-25(10-7-2)16(3)19(27)26-11-8-21(14-26)15-28-13-17-12-22-20(24(4)5)23-18(17)21/h12,16H,6-11,13-15H2,1-5H3/t16-,21?/m1/s1.
What are the key properties of (2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one?
(2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one has a molecular weight of 389.54 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(dipropylamino)propan-1-one is sourced from PubChem (CID 133144311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).