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

C17H27N5S — CID 167874941

IUPAC5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NC(C)(C)CCN3CCN(C)CC3)c12
InChIInChI=1S/C17H27N5S/c1-13-11-23-16-14(13)15(18-12-19-16)20-17(2,3)5-6-22-9-7-21(4)8-10-22/h11-12H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyPJXQCZHZWISTOE-UHFFFAOYSA-N
MW333.51 g/mol
LogP2.83
Rot. Bonds5

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

5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 167874941) has the molecular formula C17H27N5S and a molecular weight of 333.51 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID167874941
Molecular FormulaC17H27N5S
Molecular Weight333.51 g/mol
Exact Mass333.20
IUPAC Name5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NC(C)(C)CCN3CCN(C)CC3)c12
InChIInChI=1S/C17H27N5S/c1-13-11-23-16-14(13)15(18-12-19-16)20-17(2,3)5-6-22-9-7-21(4)8-10-22/h11-12H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyPJXQCZHZWISTOE-UHFFFAOYSA-N
XLogP2.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine (CID 167874941) is 5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine is Cc1csc2ncnc(NC(C)(C)CCN3CCN(C)CC3)c12.
What is the InChIKey of 5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PJXQCZHZWISTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5S/c1-13-11-23-16-14(13)15(18-12-19-16)20-17(2,3)5-6-22-9-7-21(4)8-10-22/h11-12H,5-10H2,1-4H3,(H,18,19,20).
What are the key properties of 5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 333.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167874941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).