(7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one

C13H19N5O — CID 178015415

IUPAC(7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one
SMILESC[C@@H]1C(=O)N(C)c2cnc(N)nc2N1C1CCCC1
InChIInChI=1S/C13H19N5O/c1-8-12(19)17(2)10-7-15-13(14)16-11(10)18(8)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H2,14,15,16)/t8-/m1/s1
InChIKeyYXRLQDNFFZELDG-MRVPVSSYSA-N
MW261.33 g/mol
LogP1.17
Rot. Bonds1

About (7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one

(7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one (PubChem CID 178015415) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is (7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one
PubChem CID178015415
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name(7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one
SMILESC[C@@H]1C(=O)N(C)c2cnc(N)nc2N1C1CCCC1
InChIInChI=1S/C13H19N5O/c1-8-12(19)17(2)10-7-15-13(14)16-11(10)18(8)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H2,14,15,16)/t8-/m1/s1
InChIKeyYXRLQDNFFZELDG-MRVPVSSYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one?
The IUPAC name of (7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one (CID 178015415) is (7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one?
The canonical SMILES for (7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one is C[C@@H]1C(=O)N(C)c2cnc(N)nc2N1C1CCCC1.
What is the InChIKey of (7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one?
The InChIKey is YXRLQDNFFZELDG-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-12(19)17(2)10-7-15-13(14)16-11(10)18(8)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H2,14,15,16)/t8-/m1/s1.
What are the key properties of (7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one?
(7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one has a molecular weight of 261.33 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one is sourced from PubChem (CID 178015415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).