8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one

C19H23N5O2 — CID 162677091

IUPAC8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one
SMILESCOc1ccc(Nc2ncc3c(n2)N(C2CCCC2)CC(=O)N3C)cc1
InChIInChI=1S/C19H23N5O2/c1-23-16-11-20-19(21-13-7-9-15(26-2)10-8-13)22-18(16)24(12-17(23)25)14-5-3-4-6-14/h7-11,14H,3-6,12H2,1-2H3,(H,20,21,22)
InChIKeyVEMBTWIPIGRQGQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.95
Rot. Bonds4

About 8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one

8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one (PubChem CID 162677091) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one
PubChem CID162677091
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one
SMILESCOc1ccc(Nc2ncc3c(n2)N(C2CCCC2)CC(=O)N3C)cc1
InChIInChI=1S/C19H23N5O2/c1-23-16-11-20-19(21-13-7-9-15(26-2)10-8-13)22-18(16)24(12-17(23)25)14-5-3-4-6-14/h7-11,14H,3-6,12H2,1-2H3,(H,20,21,22)
InChIKeyVEMBTWIPIGRQGQ-UHFFFAOYSA-N
XLogP2.95
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one?
The IUPAC name of 8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one (CID 162677091) is 8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for 8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one?
The canonical SMILES for 8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one is COc1ccc(Nc2ncc3c(n2)N(C2CCCC2)CC(=O)N3C)cc1.
What is the InChIKey of 8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one?
The InChIKey is VEMBTWIPIGRQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23-16-11-20-19(21-13-7-9-15(26-2)10-8-13)22-18(16)24(12-17(23)25)14-5-3-4-6-14/h7-11,14H,3-6,12H2,1-2H3,(H,20,21,22).
What are the key properties of 8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one?
8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one has a molecular weight of 353.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 162677091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).