5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine

C12H17N5S — CID 140546623

IUPAC5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NN3CCN(C)CC3)c12
InChIInChI=1S/C12H17N5S/c1-9-7-18-12-10(9)11(13-8-14-12)15-17-5-3-16(2)4-6-17/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyZMTVSTXMOXQFCE-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.57
Rot. Bonds2

About 5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine

5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 140546623) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID140546623
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NN3CCN(C)CC3)c12
InChIInChI=1S/C12H17N5S/c1-9-7-18-12-10(9)11(13-8-14-12)15-17-5-3-16(2)4-6-17/h7-8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyZMTVSTXMOXQFCE-UHFFFAOYSA-N
XLogP1.57
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine (CID 140546623) is 5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1csc2ncnc(NN3CCN(C)CC3)c12.
What is the InChIKey of 5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZMTVSTXMOXQFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-9-7-18-12-10(9)11(13-8-14-12)15-17-5-3-16(2)4-6-17/h7-8H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine?
5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 140546623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).