1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione

C19H24N6O3 — CID 135090068

IUPAC1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C1)CC2
InChIInChI=1S/C19H24N6O3/c1-23(2)17-20-10-13-4-7-19(16(13)22-17)6-3-8-25(12-19)15(27)11-24-9-5-14(26)21-18(24)28/h5,9-10H,3-4,6-8,11-12H2,1-2H3,(H,21,26,28)
InChIKeyZAALSPPIFIDTPK-UHFFFAOYSA-N
MW384.44 g/mol
LogP-0.10
Rot. Bonds3

About 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 135090068) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID135090068
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C1)CC2
InChIInChI=1S/C19H24N6O3/c1-23(2)17-20-10-13-4-7-19(16(13)22-17)6-3-8-25(12-19)15(27)11-24-9-5-14(26)21-18(24)28/h5,9-10H,3-4,6-8,11-12H2,1-2H3,(H,21,26,28)
InChIKeyZAALSPPIFIDTPK-UHFFFAOYSA-N
XLogP-0.10
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone
CID 163318342
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone
CID 163304934
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 163304981
5-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 163310050
N-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]acetamide
CID 135111986
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(hydroxymethyl)cyclopropyl]methanone
CID 164698444
1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 135108398
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methoxypiperidin-4-yl)methanone
CID 163306968
2-(4-chlorophenoxy)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 135101439
4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one
CID 135090181
1-[2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 154563479
3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one
CID 135089097

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 135090068) is 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)Cn3ccc(=O)[nH]c3=O)C1)CC2.
What is the InChIKey of 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is ZAALSPPIFIDTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-23(2)17-20-10-13-4-7-19(16(13)22-17)6-3-8-25(12-19)15(27)11-24-9-5-14(26)21-18(24)28/h5,9-10H,3-4,6-8,11-12H2,1-2H3,(H,21,26,28).
What are the key properties of 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 384.44 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135090068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).