5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

C18H23N6S+ — CID 7927705

IUPAC5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccnc3)nc(NN3CC[NH+](C)CC3)c2c1C
InChIInChI=1S/C18H22N6S/c1-12-13(2)25-18-15(12)17(22-24-9-7-23(3)8-10-24)20-16(21-18)14-5-4-6-19-11-14/h4-6,11H,7-10H2,1-3H3,(H,20,21,22)/p+1
InChIKeyHVOIQZQLURUILM-UHFFFAOYSA-O
MW355.49 g/mol
LogP1.53
Rot. Bonds3

About 5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 7927705) has the molecular formula C18H23N6S+ and a molecular weight of 355.49 g/mol. Its IUPAC name is 5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID7927705
Molecular FormulaC18H23N6S+
Molecular Weight355.49 g/mol
Exact Mass355.17
IUPAC Name5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccnc3)nc(NN3CC[NH+](C)CC3)c2c1C
InChIInChI=1S/C18H22N6S/c1-12-13(2)25-18-15(12)17(22-24-9-7-23(3)8-10-24)20-16(21-18)14-5-4-6-19-11-14/h4-6,11H,7-10H2,1-3H3,(H,20,21,22)/p+1
InChIKeyHVOIQZQLURUILM-UHFFFAOYSA-O
XLogP1.53
TPSA58.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 16553303
3-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 17410711
N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 4795424
N-[(1R)-1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 2575972
N-[1-(4-fluorophenyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 4834425
5,6-dimethyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 17481821
4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 154807100
5,6-dimethyl-2-pyridin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 167805955
1-[4-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butyl]-6-methylpyridin-2-one
CID 166188026
N,5,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 166225267
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propan-1-ol
CID 166190654
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid
CID 166237581

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 7927705) is 5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3cccnc3)nc(NN3CC[NH+](C)CC3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HVOIQZQLURUILM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N6S/c1-12-13(2)25-18-15(12)17(22-24-9-7-23(3)8-10-24)20-16(21-18)14-5-4-6-19-11-14/h4-6,11H,7-10H2,1-3H3,(H,20,21,22)/p+1.
What are the key properties of 5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 355.49 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 7927705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).