(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one

C14H19ClN4O — CID 24820413

IUPAC(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CCCC1
InChIInChI=1S/C14H19ClN4O/c1-3-10-13(20)18(2)11-8-16-14(15)17-12(11)19(10)9-6-4-5-7-9/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyRDOMCFLYXZACAX-SNVBAGLBSA-N
MW294.79 g/mol
LogP2.63
Rot. Bonds2

About (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one

(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one (PubChem CID 24820413) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
PubChem CID24820413
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CCCC1
InChIInChI=1S/C14H19ClN4O/c1-3-10-13(20)18(2)11-8-16-14(15)17-12(11)19(10)9-6-4-5-7-9/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyRDOMCFLYXZACAX-SNVBAGLBSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one?
The IUPAC name of (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one (CID 24820413) is (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one?
The canonical SMILES for (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CCCC1.
What is the InChIKey of (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one?
The InChIKey is RDOMCFLYXZACAX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-3-10-13(20)18(2)11-8-16-14(15)17-12(11)19(10)9-6-4-5-7-9/h8-10H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one?
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one has a molecular weight of 294.79 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 24820413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).