2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride

C18H28Cl2N6S — CID 154890049

About 2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride

2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride (PubChem CID 154890049) has the molecular formula C18H28Cl2N6S and a molecular weight of 431.44 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

• Compound Name: 2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
• PubChem CID: 154890049
• Molecular Formula: C18H28Cl2N6S
• Molecular Weight: 431.44 g/mol
• Exact Mass: 430.15
• IUPAC Name: 2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
• SMILES: Cc1sc2nc(CCN)nc(N(C)CCCc3nccn3C)c2c1C.Cl.Cl
• InChI: InChI=1S/C18H26N6S.2ClH/c1-12-13(2)25-18-16(12)17(21-14(22-18)7-8-19)24(4)10-5-6-15-20-9-11-23(15)3;;/h9,11H,5-8,10,19H2,1-4H3;2*1H
• InChIKey: WNLDBBRSEWCJAP-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 72.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.44
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride?

The IUPAC name of 2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride (CID 154890049) is 2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride.

What is the SMILES notation for 2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride?

The canonical SMILES for 2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride is Cc1sc2nc(CCN)nc(N(C)CCCc3nccn3C)c2c1C.Cl.Cl.

What is the InChIKey of 2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride?

The InChIKey is WNLDBBRSEWCJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6S.2ClH/c1-12-13(2)25-18-16(12)17(21-14(22-18)7-8-19)24(4)10-5-6-15-20-9-11-23(15)3;;/h9,11H,5-8,10,19H2,1-4H3;2*1H.

What are the key properties of 2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride?

2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride has a molecular weight of 431.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethyl)-N,5,6-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154890049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).