7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine

C12H16N4S — CID 57391129

IUPAC7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCN(C)CC3)ncnc12
InChIInChI=1S/C12H16N4S/c1-9-7-17-11-10(9)13-8-14-12(11)16-5-3-15(2)4-6-16/h7-8H,3-6H2,1-2H3
InChIKeyUNBVDSJUTMTSFH-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.75
Rot. Bonds1

About 7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine

7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine (PubChem CID 57391129) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine
PubChem CID57391129
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCN(C)CC3)ncnc12
InChIInChI=1S/C12H16N4S/c1-9-7-17-11-10(9)13-8-14-12(11)16-5-3-15(2)4-6-16/h7-8H,3-6H2,1-2H3
InChIKeyUNBVDSJUTMTSFH-UHFFFAOYSA-N
XLogP1.75
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine (CID 57391129) is 7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine is Cc1csc2c(N3CCN(C)CC3)ncnc12.
What is the InChIKey of 7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine?
The InChIKey is UNBVDSJUTMTSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-7-17-11-10(9)13-8-14-12(11)16-5-3-15(2)4-6-16/h7-8H,3-6H2,1-2H3.
What are the key properties of 7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine?
7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine has a molecular weight of 248.35 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 57391129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).