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

C15H22N6O2 — CID 3233267

IUPAC8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCOCCn1c(=O)c(C)nc2cnc(N3CCN(C)CC3)nc21
InChIInChI=1S/C15H22N6O2/c1-11-14(22)21(8-9-23-3)13-12(17-11)10-16-15(18-13)20-6-4-19(2)5-7-20/h10H,4-9H2,1-3H3
InChIKeyDNLAMMWTOFUYSL-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.11
Rot. Bonds4

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

8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (PubChem CID 3233267) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
PubChem CID3233267
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCOCCn1c(=O)c(C)nc2cnc(N3CCN(C)CC3)nc21
InChIInChI=1S/C15H22N6O2/c1-11-14(22)21(8-9-23-3)13-12(17-11)10-16-15(18-13)20-6-4-19(2)5-7-20/h10H,4-9H2,1-3H3
InChIKeyDNLAMMWTOFUYSL-UHFFFAOYSA-N
XLogP-0.11
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The IUPAC name of 8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (CID 3233267) is 8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.
What is the SMILES notation for 8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The canonical SMILES for 8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is COCCn1c(=O)c(C)nc2cnc(N3CCN(C)CC3)nc21.
What is the InChIKey of 8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The InChIKey is DNLAMMWTOFUYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-11-14(22)21(8-9-23-3)13-12(17-11)10-16-15(18-13)20-6-4-19(2)5-7-20/h10H,4-9H2,1-3H3.
What are the key properties of 8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one has a molecular weight of 318.38 g/mol, XLogP of -0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is sourced from PubChem (CID 3233267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).