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

C13H17N5O2 — CID 3233652

IUPAC2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCCNc1ncc2ncc(=O)n(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C13H17N5O2/c1-2-14-13-16-6-10-12(17-13)18(11(19)7-15-10)8-9-4-3-5-20-9/h6-7,9H,2-5,8H2,1H3,(H,14,16,17)/t9-/m1/s1
InChIKeyHIOCNAKHYXJDED-SECBINFHSA-N
MW275.31 g/mol
LogP0.80
Rot. Bonds4

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

2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (PubChem CID 3233652) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
PubChem CID3233652
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCCNc1ncc2ncc(=O)n(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C13H17N5O2/c1-2-14-13-16-6-10-12(17-13)18(11(19)7-15-10)8-9-4-3-5-20-9/h6-7,9H,2-5,8H2,1H3,(H,14,16,17)/t9-/m1/s1
InChIKeyHIOCNAKHYXJDED-SECBINFHSA-N
XLogP0.80
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (CID 3233652) is 2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is CCNc1ncc2ncc(=O)n(C[C@H]3CCCO3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The InChIKey is HIOCNAKHYXJDED-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-14-13-16-6-10-12(17-13)18(11(19)7-15-10)8-9-4-3-5-20-9/h6-7,9H,2-5,8H2,1H3,(H,14,16,17)/t9-/m1/s1.
What are the key properties of 2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one has a molecular weight of 275.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is sourced from PubChem (CID 3233652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).