(7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one

C17H21N5O2S — CID 58405580

IUPAC(7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(CC(=O)c3nccs3)nc2N1C(C)C
InChIInChI=1S/C17H21N5O2S/c1-5-11-17(24)21(4)12-9-19-14(20-15(12)22(11)10(2)3)8-13(23)16-18-6-7-25-16/h6-7,9-11H,5,8H2,1-4H3/t11-/m1/s1
InChIKeyKWEKQLNASLMGDF-LLVKDONJSA-N
MW359.46 g/mol
LogP2.33
Rot. Bonds5

About (7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one

(7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one (PubChem CID 58405580) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is (7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one
PubChem CID58405580
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name(7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(CC(=O)c3nccs3)nc2N1C(C)C
InChIInChI=1S/C17H21N5O2S/c1-5-11-17(24)21(4)12-9-19-14(20-15(12)22(11)10(2)3)8-13(23)16-18-6-7-25-16/h6-7,9-11H,5,8H2,1-4H3/t11-/m1/s1
InChIKeyKWEKQLNASLMGDF-LLVKDONJSA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one?
The IUPAC name of (7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one (CID 58405580) is (7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one?
The canonical SMILES for (7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(CC(=O)c3nccs3)nc2N1C(C)C.
What is the InChIKey of (7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one?
The InChIKey is KWEKQLNASLMGDF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-5-11-17(24)21(4)12-9-19-14(20-15(12)22(11)10(2)3)8-13(23)16-18-6-7-25-16/h6-7,9-11H,5,8H2,1-4H3/t11-/m1/s1.
What are the key properties of (7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one?
(7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one has a molecular weight of 359.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one is sourced from PubChem (CID 58405580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).