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

C14H20N6O2 — CID 3235519

IUPAC8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCOCCn1c(=O)cnc2cnc(N3CCN(C)CC3)nc21
InChIInChI=1S/C14H20N6O2/c1-18-3-5-19(6-4-18)14-16-9-11-13(17-14)20(7-8-22-2)12(21)10-15-11/h9-10H,3-8H2,1-2H3
InChIKeyHKAAPKPADYSGNF-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.42
Rot. Bonds4

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

8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one (PubChem CID 3235519) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one
PubChem CID3235519
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCOCCn1c(=O)cnc2cnc(N3CCN(C)CC3)nc21
InChIInChI=1S/C14H20N6O2/c1-18-3-5-19(6-4-18)14-16-9-11-13(17-14)20(7-8-22-2)12(21)10-15-11/h9-10H,3-8H2,1-2H3
InChIKeyHKAAPKPADYSGNF-UHFFFAOYSA-N
XLogP-0.42
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

8-Methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3232646
2-Methoxy-8-methylpteridin-7-one
CID 3232856
6,8-Dimethyl-2-piperazin-1-ylpteridin-7-one
CID 3233003
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233097
3-(2-Methoxy-6-methyl-7-oxopteridin-8-yl)propanenitrile
CID 3233319
8-Cyclopropyl-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3233384
2-(Ethylamino)-8-methylpteridin-7-one
CID 3233773
8-Cyclopropyl-2-methoxypteridin-7-one
CID 3233786
8-Cyclopropyl-2-methoxy-6-methylpteridin-7-one
CID 3234207
8-(2-Methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3234388
3-[6-Methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile
CID 3234661
8-Cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3235223

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The IUPAC name of 8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one (CID 3235519) is 8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one.
What is the SMILES notation for 8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The canonical SMILES for 8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one is COCCn1c(=O)cnc2cnc(N3CCN(C)CC3)nc21.
What is the InChIKey of 8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The InChIKey is HKAAPKPADYSGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-18-3-5-19(6-4-18)14-16-9-11-13(17-14)20(7-8-22-2)12(21)10-15-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one?
8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one has a molecular weight of 304.35 g/mol, XLogP of -0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one is sourced from PubChem (CID 3235519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).