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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Related Compounds

8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one
CID 162677091
4-[(9-cyclopentyl-7,7-difluoro-6-oxo-5,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 58015148
7-(4-methoxyanilino)-3-(4-methoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 163679428
9-cyclopentyl-7,7-difluoro-2-[(4-methoxyphenyl)methylamino]-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 167462806
4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 58154158
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzoic acid
CID 58153936
7-cyclopentyl-5,5-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidin-6-one
CID 58015854
9-cyclopentyl-2-[1-(4-methoxyphenyl)ethylamino]-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 44612280
7-cyclohexyl-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11302158
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
2-amino-9-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 68686581

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).