2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine

C30H38N10O2S2 — CID 176568573

About 2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine

2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine (PubChem CID 176568573) has the molecular formula C30H38N10O2S2 and a molecular weight of 634.84 g/mol. Its IUPAC name is 2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine.

Molecular Properties

• Compound Name: 2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine
• PubChem CID: 176568573
• Molecular Formula: C30H38N10O2S2
• Molecular Weight: 634.84 g/mol
• Exact Mass: 634.26
• IUPAC Name: 2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine
• SMILES: CCN(c1nc(OC)nc(N2CC3(C2)SCc2sc(N)c(C#N)c23)c1C#N)C(C)c1cccnc1N.COCC1CCCN1
• InChI: InChI=1S/C24H25N9OS2.C6H13NO/c1-4-33(13(2)14-6-5-7-29-19(14)27)22-16(9-26)21(30-23(31-22)34-3)32-11-24(12-32)18-15(8-25)20(28)36-17(18)10-35-24;1-8-5-6-3-2-4-7-6/h5-7,13H,4,10-12,28H2,1-3H3,(H2,27,29);6-7H,2-5H2,1H3
• InChIKey: WAQPLYSCVJMEJB-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 175.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.84
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine?

The IUPAC name of 2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine (CID 176568573) is 2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine.

What is the SMILES notation for 2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine?

The canonical SMILES for 2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine is CCN(c1nc(OC)nc(N2CC3(C2)SCc2sc(N)c(C#N)c23)c1C#N)C(C)c1cccnc1N.COCC1CCCN1.

What is the InChIKey of 2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine?

The InChIKey is WAQPLYSCVJMEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9OS2.C6H13NO/c1-4-33(13(2)14-6-5-7-29-19(14)27)22-16(9-26)21(30-23(31-22)34-3)32-11-24(12-32)18-15(8-25)20(28)36-17(18)10-35-24;1-8-5-6-3-2-4-7-6/h5-7,13H,4,10-12,28H2,1-3H3,(H2,27,29);6-7H,2-5H2,1H3.

What are the key properties of 2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine?

2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine has a molecular weight of 634.84 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1'-[6-[1-(2-amino-3-pyridinyl)ethyl-ethylamino]-5-cyano-2-methoxypyrimidin-4-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile;2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 176568573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).