8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one

C18H21N5O2 — CID 162660458

IUPAC8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one
SMILESCOc1ccc(Nc2ncc3c(n2)N(C2CCCC2)CC(=O)N3)cc1
InChIInChI=1S/C18H21N5O2/c1-25-14-8-6-12(7-9-14)20-18-19-10-15-17(22-18)23(11-16(24)21-15)13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H,21,24)(H,19,20,22)
InChIKeyVZELCCKLLAMBMG-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.93
Rot. Bonds4

About 8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one

8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one (PubChem CID 162660458) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one
PubChem CID162660458
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one
SMILESCOc1ccc(Nc2ncc3c(n2)N(C2CCCC2)CC(=O)N3)cc1
InChIInChI=1S/C18H21N5O2/c1-25-14-8-6-12(7-9-14)20-18-19-10-15-17(22-18)23(11-16(24)21-15)13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H,21,24)(H,19,20,22)
InChIKeyVZELCCKLLAMBMG-UHFFFAOYSA-N
XLogP2.93
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one?
The IUPAC name of 8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one (CID 162660458) is 8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one.
What is the SMILES notation for 8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one?
The canonical SMILES for 8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one is COc1ccc(Nc2ncc3c(n2)N(C2CCCC2)CC(=O)N3)cc1.
What is the InChIKey of 8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one?
The InChIKey is VZELCCKLLAMBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-25-14-8-6-12(7-9-14)20-18-19-10-15-17(22-18)23(11-16(24)21-15)13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H,21,24)(H,19,20,22).
What are the key properties of 8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one?
8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one has a molecular weight of 339.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one is sourced from PubChem (CID 162660458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).