4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid

C26H36N8O6 — CID 146223711

About 4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid

4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid (PubChem CID 146223711) has the molecular formula C26H36N8O6 and a molecular weight of 556.62 g/mol. Its IUPAC name is 4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: 4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid
• PubChem CID: 146223711
• Molecular Formula: C26H36N8O6
• Molecular Weight: 556.62 g/mol
• Exact Mass: 556.28
• IUPAC Name: 4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid
• SMILES: CC(C)(C)OC(=O)[C@@H]1CN(c2ncc3c(n2)CCN(C(=O)OC(C)(C)C)C3)CCN1c1ncc(C(=O)O)c(N)n1
• InChI: InChI=1S/C26H36N8O6/c1-25(2,3)39-21(37)18-14-32(9-10-34(18)23-29-12-16(20(35)36)19(27)31-23)22-28-11-15-13-33(8-7-17(15)30-22)24(38)40-26(4,5)6/h11-12,18H,7-10,13-14H2,1-6H3,(H,35,36)(H2,27,29,31)/t18-/m0/s1
• InChIKey: SHIPWISEQAJFLW-SFHVURJKSA-N
• XLogP: 1.88
• TPSA: 177.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.62
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid?

The IUPAC name of 4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid (CID 146223711) is 4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid.

What is the SMILES notation for 4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid?

The canonical SMILES for 4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid is CC(C)(C)OC(=O)[C@@H]1CN(c2ncc3c(n2)CCN(C(=O)OC(C)(C)C)C3)CCN1c1ncc(C(=O)O)c(N)n1.

What is the InChIKey of 4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid?

The InChIKey is SHIPWISEQAJFLW-SFHVURJKSA-N. The full InChI is InChI=1S/C26H36N8O6/c1-25(2,3)39-21(37)18-14-32(9-10-34(18)23-29-12-16(20(35)36)19(27)31-23)22-28-11-15-13-33(8-7-17(15)30-22)24(38)40-26(4,5)6/h11-12,18H,7-10,13-14H2,1-6H3,(H,35,36)(H2,27,29,31)/t18-/m0/s1.

What are the key properties of 4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid?

4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid has a molecular weight of 556.62 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 146223711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).