2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C20H24N4O4 — CID 154570784

IUPAC2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCCC3(CCc4c3nc(N(C)C)[nH]c4=O)C2)o1
InChIInChI=1S/C20H24N4O4/c1-12-9-13(25)10-15(28-12)18(27)24-8-4-6-20(11-24)7-5-14-16(20)21-19(23(2)3)22-17(14)26/h9-10H,4-8,11H2,1-3H3,(H,21,22,26)
InChIKeyBQPMOXXWPXZKCO-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.22
Rot. Bonds2

About 2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154570784) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154570784
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCCC3(CCc4c3nc(N(C)C)[nH]c4=O)C2)o1
InChIInChI=1S/C20H24N4O4/c1-12-9-13(25)10-15(28-12)18(27)24-8-4-6-20(11-24)7-5-14-16(20)21-19(23(2)3)22-17(14)26/h9-10H,4-8,11H2,1-3H3,(H,21,22,26)
InChIKeyBQPMOXXWPXZKCO-UHFFFAOYSA-N
XLogP1.22
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-1'-[4-(dimethylamino)benzoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154818706
1'-(1,3-benzodioxole-5-carbonyl)-2-(dimethylamino)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155913680
2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154816421
1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154816196
2-methyl-1'-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154567640
2-cyclopropyl-1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154571460
2-cyclopropyl-1'-(4-hydroxy-2-methylbenzoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564878
1'-(1,3-benzodioxole-5-carbonyl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155492985
2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one
CID 118787331
2-(dimethylamino)-1'-[(2-phenylpyrazol-3-yl)methyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154819228
2-methyl-1'-(2-phenylbenzoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154563676
2-methyl-1'-(3-phenyltriazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155506172

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154570784) is 2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is Cc1cc(=O)cc(C(=O)N2CCCC3(CCc4c3nc(N(C)C)[nH]c4=O)C2)o1.
What is the InChIKey of 2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is BQPMOXXWPXZKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12-9-13(25)10-15(28-12)18(27)24-8-4-6-20(11-24)7-5-14-16(20)21-19(23(2)3)22-17(14)26/h9-10H,4-8,11H2,1-3H3,(H,21,22,26).
What are the key properties of 2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 384.44 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1'-(6-methyl-4-oxopyran-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154570784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).