2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

C14H19N5O2 — CID 3233024

IUPAC2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCCNc1ncc2nc(C)c(=O)n(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C14H19N5O2/c1-3-15-14-16-7-11-12(18-14)19(13(20)9(2)17-11)8-10-5-4-6-21-10/h7,10H,3-6,8H2,1-2H3,(H,15,16,18)/t10-/m1/s1
InChIKeyIHMZJJALBZMYKD-SNVBAGLBSA-N
MW289.34 g/mol
LogP1.11
Rot. Bonds4

About 2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (PubChem CID 3233024) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
PubChem CID3233024
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCCNc1ncc2nc(C)c(=O)n(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C14H19N5O2/c1-3-15-14-16-7-11-12(18-14)19(13(20)9(2)17-11)8-10-5-4-6-21-10/h7,10H,3-6,8H2,1-2H3,(H,15,16,18)/t10-/m1/s1
InChIKeyIHMZJJALBZMYKD-SNVBAGLBSA-N
XLogP1.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The IUPAC name of 2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (CID 3233024) is 2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is CCNc1ncc2nc(C)c(=O)n(C[C@H]3CCCO3)c2n1.
What is the InChIKey of 2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The InChIKey is IHMZJJALBZMYKD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-15-14-16-7-11-12(18-14)19(13(20)9(2)17-11)8-10-5-4-6-21-10/h7,10H,3-6,8H2,1-2H3,(H,15,16,18)/t10-/m1/s1.
What are the key properties of 2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one has a molecular weight of 289.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is sourced from PubChem (CID 3233024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).