2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one

C16H17N5O2 — CID 3234470

IUPAC2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
SMILESCCNc1ncc2ncc(=O)n(Cc3cccc(OC)c3)c2n1
InChIInChI=1S/C16H17N5O2/c1-3-17-16-19-8-13-15(20-16)21(14(22)9-18-13)10-11-5-4-6-12(7-11)23-2/h4-9H,3,10H2,1-2H3,(H,17,19,20)
InChIKeyPIDKODIHWKDESE-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.68
Rot. Bonds5

About 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one

2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one (PubChem CID 3234470) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
PubChem CID3234470
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
SMILESCCNc1ncc2ncc(=O)n(Cc3cccc(OC)c3)c2n1
InChIInChI=1S/C16H17N5O2/c1-3-17-16-19-8-13-15(20-16)21(14(22)9-18-13)10-11-5-4-6-12(7-11)23-2/h4-9H,3,10H2,1-2H3,(H,17,19,20)
InChIKeyPIDKODIHWKDESE-UHFFFAOYSA-N
XLogP1.68
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one (CID 3234470) is 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one is CCNc1ncc2ncc(=O)n(Cc3cccc(OC)c3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The InChIKey is PIDKODIHWKDESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-17-16-19-8-13-15(20-16)21(14(22)9-18-13)10-11-5-4-6-12(7-11)23-2/h4-9H,3,10H2,1-2H3,(H,17,19,20).
What are the key properties of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one has a molecular weight of 311.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]pteridin-7-one is sourced from PubChem (CID 3234470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).