3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one

C24H29N3O2 — CID 24910526

About 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one

3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one (PubChem CID 24910526) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one.

Molecular Properties

• Compound Name: 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one
• PubChem CID: 24910526
• Molecular Formula: C24H29N3O2
• Molecular Weight: 391.52 g/mol
• Exact Mass: 391.23
• IUPAC Name: 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one
• SMILES: CC(C)c1ccc2occ(CN3CCc4nc(C(C)(C)C)ncc4C3)c(=O)c2c1
• InChI: InChI=1S/C24H29N3O2/c1-15(2)16-6-7-21-19(10-16)22(28)18(14-29-21)13-27-9-8-20-17(12-27)11-25-23(26-20)24(3,4)5/h6-7,10-11,14-15H,8-9,12-13H2,1-5H3
• InChIKey: VKDVBFFBCZJRQY-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.52
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one?

The IUPAC name of 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one (CID 24910526) is 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one.

What is the SMILES notation for 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one?

The canonical SMILES for 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one is CC(C)c1ccc2occ(CN3CCc4nc(C(C)(C)C)ncc4C3)c(=O)c2c1.

What is the InChIKey of 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one?

The InChIKey is VKDVBFFBCZJRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-15(2)16-6-7-21-19(10-16)22(28)18(14-29-21)13-27-9-8-20-17(12-27)11-25-23(26-20)24(3,4)5/h6-7,10-11,14-15H,8-9,12-13H2,1-5H3.

What are the key properties of 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one?

3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one has a molecular weight of 391.52 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-propan-2-ylchromen-4-one is sourced from PubChem (CID 24910526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).