8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one

C16H16N4O3 — CID 3232796

IUPAC8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one
SMILESCOCCn1c(=O)cnc2cnc(OCc3ccccc3)nc21
InChIInChI=1S/C16H16N4O3/c1-22-8-7-20-14(21)10-17-13-9-18-16(19-15(13)20)23-11-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyZYTWBCIMVDCZHU-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.41
Rot. Bonds6

About 8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one

8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one (PubChem CID 3232796) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one
PubChem CID3232796
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one
SMILESCOCCn1c(=O)cnc2cnc(OCc3ccccc3)nc21
InChIInChI=1S/C16H16N4O3/c1-22-8-7-20-14(21)10-17-13-9-18-16(19-15(13)20)23-11-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyZYTWBCIMVDCZHU-UHFFFAOYSA-N
XLogP1.41
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one?
The IUPAC name of 8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one (CID 3232796) is 8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one.
What is the SMILES notation for 8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one?
The canonical SMILES for 8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one is COCCn1c(=O)cnc2cnc(OCc3ccccc3)nc21.
What is the InChIKey of 8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one?
The InChIKey is ZYTWBCIMVDCZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-22-8-7-20-14(21)10-17-13-9-18-16(19-15(13)20)23-11-12-5-3-2-4-6-12/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one?
8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one has a molecular weight of 312.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-2-phenylmethoxypteridin-7-one is sourced from PubChem (CID 3232796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).