6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H27N5O2 — CID 136881299

About 6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136881299) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136881299
• Molecular Formula: C23H27N5O2
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.22
• IUPAC Name: 6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: COc1ccc(C(C)(C)C)cc1CN1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1
• InChI: InChI=1S/C23H27N5O2/c1-23(2,3)16-5-6-20(30-4)15(11-16)13-28-10-7-18-17(14-28)22(29)27-21(26-18)19-12-24-8-9-25-19/h5-6,8-9,11-12H,7,10,13-14H2,1-4H3,(H,26,27,29)
• InChIKey: NGXZWKWTYYONIZ-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136881299) is 6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccc(C(C)(C)C)cc1CN1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1.

What is the InChIKey of 6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is NGXZWKWTYYONIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-23(2,3)16-5-6-20(30-4)15(11-16)13-28-10-7-18-17(14-28)22(29)27-21(26-18)19-12-24-8-9-25-19/h5-6,8-9,11-12H,7,10,13-14H2,1-4H3,(H,26,27,29).

What are the key properties of 6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 405.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136881299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).