6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one

C18H20N6O — CID 3234775

IUPAC6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one
SMILESCc1nc2cnc(N3CCN(C)CC3)nc2n(-c2ccccc2)c1=O
InChIInChI=1S/C18H20N6O/c1-13-17(25)24(14-6-4-3-5-7-14)16-15(20-13)12-19-18(21-16)23-10-8-22(2)9-11-23/h3-7,12H,8-11H2,1-2H3
InChIKeyDQKKCWSSLPAIAV-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.24
Rot. Bonds2

About 6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one

6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one (PubChem CID 3234775) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one.

Molecular Properties

Compound Name6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one
PubChem CID3234775
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one
SMILESCc1nc2cnc(N3CCN(C)CC3)nc2n(-c2ccccc2)c1=O
InChIInChI=1S/C18H20N6O/c1-13-17(25)24(14-6-4-3-5-7-14)16-15(20-13)12-19-18(21-16)23-10-8-22(2)9-11-23/h3-7,12H,8-11H2,1-2H3
InChIKeyDQKKCWSSLPAIAV-UHFFFAOYSA-N
XLogP1.24
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one?
The IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one (CID 3234775) is 6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one.
What is the SMILES notation for 6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one?
The canonical SMILES for 6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one is Cc1nc2cnc(N3CCN(C)CC3)nc2n(-c2ccccc2)c1=O.
What is the InChIKey of 6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one?
The InChIKey is DQKKCWSSLPAIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-17(25)24(14-6-4-3-5-7-14)16-15(20-13)12-19-18(21-16)23-10-8-22(2)9-11-23/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one?
6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one has a molecular weight of 336.40 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one is sourced from PubChem (CID 3234775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).