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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Related Compounds

8-cyclopentyl-2-(4-methoxyanilino)-5,7-dihydropteridin-6-one
CID 162660458
4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 58154158
9-cyclopentyl-5-methyl-2-(methylamino)-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one
CID 59295112
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-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzoic acid
CID 58153936
4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzohydrazide
CID 163410586
9-cyclopentyl-2-[1-(4-methoxyphenyl)ethylamino]-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 44612280
N-cyclohexyl-4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzamide
CID 25004621
3-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-4-methoxy-N-methylbenzamide
CID 66940991
4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-methylbenzamide
CID 25127651
4-[(8-cyclopentyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxy-N-[1-(piperidin-4-ylmethyl)azetidin-3-yl]benzamide;ethane
CID 171081876
9-cyclopentyl-2-(2-methoxyanilino)-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 25123686

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).