8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one

C13H18N6O2 — CID 3235191

IUPAC8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one
SMILESCOCCn1c(=O)cnc2cnc(N3CCNCC3)nc21
InChIInChI=1S/C13H18N6O2/c1-21-7-6-19-11(20)9-15-10-8-16-13(17-12(10)19)18-4-2-14-3-5-18/h8-9,14H,2-7H2,1H3
InChIKeyWTVARZMLOKTSQI-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.76
Rot. Bonds4

About 8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one

8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one (PubChem CID 3235191) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one
PubChem CID3235191
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one
SMILESCOCCn1c(=O)cnc2cnc(N3CCNCC3)nc21
InChIInChI=1S/C13H18N6O2/c1-21-7-6-19-11(20)9-15-10-8-16-13(17-12(10)19)18-4-2-14-3-5-18/h8-9,14H,2-7H2,1H3
InChIKeyWTVARZMLOKTSQI-UHFFFAOYSA-N
XLogP-0.76
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5,8-Dihydropteridine-6,7-dione
CID 10820906
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
8-Cyclopropyl-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3233384
8-Cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one
CID 3233431
2-(Ethylamino)-8-methylpteridin-7-one
CID 3233773
8-Cyclopropyl-2-methoxypteridin-7-one
CID 3233786
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
8-Cyclopropyl-2-(ethylamino)pteridin-7-one
CID 3235374

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one (CID 3235191) is 8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one is COCCn1c(=O)cnc2cnc(N3CCNCC3)nc21.
What is the InChIKey of 8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one?
The InChIKey is WTVARZMLOKTSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-21-7-6-19-11(20)9-15-10-8-16-13(17-12(10)19)18-4-2-14-3-5-18/h8-9,14H,2-7H2,1H3.
What are the key properties of 8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one?
8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one has a molecular weight of 290.33 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3235191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).