6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one

C17H20N6OS — CID 3232712

IUPAC6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCc1nc2cnc(N3CCN(C)CC3)nc2n(Cc2cccs2)c1=O
InChIInChI=1S/C17H20N6OS/c1-12-16(24)23(11-13-4-3-9-25-13)15-14(19-12)10-18-17(20-15)22-7-5-21(2)6-8-22/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyPEVZIMVMXCDROA-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.36
Rot. Bonds3

About 6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one

6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3232712) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3232712
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCc1nc2cnc(N3CCN(C)CC3)nc2n(Cc2cccs2)c1=O
InChIInChI=1S/C17H20N6OS/c1-12-16(24)23(11-13-4-3-9-25-13)15-14(19-12)10-18-17(20-15)22-7-5-21(2)6-8-22/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyPEVZIMVMXCDROA-UHFFFAOYSA-N
XLogP1.36
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3232712) is 6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one is Cc1nc2cnc(N3CCN(C)CC3)nc2n(Cc2cccs2)c1=O.
What is the InChIKey of 6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is PEVZIMVMXCDROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-12-16(24)23(11-13-4-3-9-25-13)15-14(19-12)10-18-17(20-15)22-7-5-21(2)6-8-22/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one?
6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 356.46 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3232712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).