1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C22H30N6O — CID 154565364

About 1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154565364) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

• Compound Name: 1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
• PubChem CID: 154565364
• Molecular Formula: C22H30N6O
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.25
• IUPAC Name: 1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
• SMILES: Cc1nc2c(c(=O)[nH]1)CCC21CCCN(c2nc(N(C)C)nc3c2CCCC3)C1
• InChI: InChI=1S/C22H30N6O/c1-14-23-18-16(20(29)24-14)9-11-22(18)10-6-12-28(13-22)19-15-7-4-5-8-17(15)25-21(26-19)27(2)3/h4-13H2,1-3H3,(H,23,24,29)
• InChIKey: SBWMRYHADSUOJM-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?

The IUPAC name of 1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154565364) is 1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

What is the SMILES notation for 1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?

The canonical SMILES for 1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is Cc1nc2c(c(=O)[nH]1)CCC21CCCN(c2nc(N(C)C)nc3c2CCCC3)C1.

What is the InChIKey of 1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?

The InChIKey is SBWMRYHADSUOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-14-23-18-16(20(29)24-14)9-11-22(18)10-6-12-28(13-22)19-15-7-4-5-8-17(15)25-21(26-19)27(2)3/h4-13H2,1-3H3,(H,23,24,29).

What are the key properties of 1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?

1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 394.52 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154565364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).