(7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one

C14H20N4O — CID 71739407

IUPAC(7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cncnc2N1C1CCCC1
InChIInChI=1S/C14H20N4O/c1-3-11-14(19)17(2)12-8-15-9-16-13(12)18(11)10-6-4-5-7-10/h8-11H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyWQXIWGBBMQMEGH-LLVKDONJSA-N
MW260.34 g/mol
LogP1.98
Rot. Bonds2

About (7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one

(7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one (PubChem CID 71739407) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
PubChem CID71739407
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cncnc2N1C1CCCC1
InChIInChI=1S/C14H20N4O/c1-3-11-14(19)17(2)12-8-15-9-16-13(12)18(11)10-6-4-5-7-10/h8-11H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyWQXIWGBBMQMEGH-LLVKDONJSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one (CID 71739407) is (7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cncnc2N1C1CCCC1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one?
The InChIKey is WQXIWGBBMQMEGH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-11-14(19)17(2)12-8-15-9-16-13(12)18(11)10-6-4-5-7-10/h8-11H,3-7H2,1-2H3/t11-/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one?
(7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one has a molecular weight of 260.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 71739407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).