5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazine-2-carboxylic acid

C17H21N5O2 — CID 136555483

About 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazine-2-carboxylic acid

5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazine-2-carboxylic acid (PubChem CID 136555483) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazine-2-carboxylic acid
• PubChem CID: 136555483
• Molecular Formula: C17H21N5O2
• Molecular Weight: 327.39 g/mol
• Exact Mass: 327.17
• IUPAC Name: 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazine-2-carboxylic acid
• SMILES: CC(C)(C)c1ncc2c(n1)CCN(Cc1cnc(C(=O)O)cn1)C2
• InChI: InChI=1S/C17H21N5O2/c1-17(2,3)16-20-6-11-9-22(5-4-13(11)21-16)10-12-7-19-14(8-18-12)15(23)24/h6-8H,4-5,9-10H2,1-3H3,(H,23,24)
• InChIKey: DSVWYSVCTJZYDI-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 92.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.39
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazine-2-carboxylic acid (CID 136555483) is 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazine-2-carboxylic acid.

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

The canonical SMILES for 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazine-2-carboxylic acid is CC(C)(C)c1ncc2c(n1)CCN(Cc1cnc(C(=O)O)cn1)C2.

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

The InChIKey is DSVWYSVCTJZYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-17(2,3)16-20-6-11-9-22(5-4-13(11)21-16)10-12-7-19-14(8-18-12)15(23)24/h6-8H,4-5,9-10H2,1-3H3,(H,23,24).

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

5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazine-2-carboxylic acid has a molecular weight of 327.39 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 136555483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).