6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one

C27H31N9OS — CID 154986759

About 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one

6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one (PubChem CID 154986759) has the molecular formula C27H31N9OS and a molecular weight of 529.67 g/mol. Its IUPAC name is 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one.

Molecular Properties

• Compound Name: 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one
• PubChem CID: 154986759
• Molecular Formula: C27H31N9OS
• Molecular Weight: 529.67 g/mol
• Exact Mass: 529.24
• IUPAC Name: 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one
• SMILES: CCSc1ccc(CNc2nc3ncc(-c4c(C)nc(N)nc4C4CC4)nc3n(C(C)C3CC3)c2=O)nc1
• InChI: InChI=1S/C27H31N9OS/c1-4-38-19-10-9-18(29-12-19)11-30-24-26(37)36(15(3)16-5-6-16)25-23(35-24)31-13-20(33-25)21-14(2)32-27(28)34-22(21)17-7-8-17/h9-10,12-13,15-17H,4-8,11H2,1-3H3,(H2,28,32,34)(H,30,31,35)
• InChIKey: FZEWYHPKQDTAOA-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 137.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.67
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one?

The IUPAC name of 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one (CID 154986759) is 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one.

What is the SMILES notation for 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one?

The canonical SMILES for 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one is CCSc1ccc(CNc2nc3ncc(-c4c(C)nc(N)nc4C4CC4)nc3n(C(C)C3CC3)c2=O)nc1.

What is the InChIKey of 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one?

The InChIKey is FZEWYHPKQDTAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N9OS/c1-4-38-19-10-9-18(29-12-19)11-30-24-26(37)36(15(3)16-5-6-16)25-23(35-24)31-13-20(33-25)21-14(2)32-27(28)34-22(21)17-7-8-17/h9-10,12-13,15-17H,4-8,11H2,1-3H3,(H2,28,32,34)(H,30,31,35).

What are the key properties of 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one?

6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one has a molecular weight of 529.67 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-(1-cyclopropylethyl)-2-[(5-ethylsulfanyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one is sourced from PubChem (CID 154986759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).