8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol

C21H29N5O2 — CID 174310496

IUPAC8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol
SMILESCCC1C(O)N(C)c2cnc(Nc3ccccc3OC)nc2N1C1CCCC1
InChIInChI=1S/C21H29N5O2/c1-4-16-20(27)25(2)17-13-22-21(23-15-11-7-8-12-18(15)28-3)24-19(17)26(16)14-9-5-6-10-14/h7-8,11-14,16,20,27H,4-6,9-10H2,1-3H3,(H,22,23,24)
InChIKeyIDSXRHVSXZTOKK-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.52
Rot. Bonds5

About 8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol

8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol (PubChem CID 174310496) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol.

Molecular Properties

Compound Name8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol
PubChem CID174310496
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol
SMILESCCC1C(O)N(C)c2cnc(Nc3ccccc3OC)nc2N1C1CCCC1
InChIInChI=1S/C21H29N5O2/c1-4-16-20(27)25(2)17-13-22-21(23-15-11-7-8-12-18(15)28-3)24-19(17)26(16)14-9-5-6-10-14/h7-8,11-14,16,20,27H,4-6,9-10H2,1-3H3,(H,22,23,24)
InChIKeyIDSXRHVSXZTOKK-UHFFFAOYSA-N
XLogP3.52
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-cyclopentyl-7-ethyl-2-(4-fluoro-2-methoxyanilino)-5-methyl-7H-pteridin-6-one
CID 171081446
9-cyclopentyl-2-(2-methoxyanilino)-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 25123686
4-[[(7R)-8-cyclopentyl-5,7-diethyl-6,7-dihydropteridin-2-yl]amino]-3-methoxybenzoic acid
CID 58009762
8-cyclopentyl-7-ethyl-2-(2-methoxy-4-propan-2-ylanilino)-5-methyl-7H-pteridin-6-one
CID 171081017
(7R)-2-(4-butan-2-yl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
CID 171081046
2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide
CID 171618457
methyl 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2-fluoro-5-methoxybenzoate
CID 178015453
4-[(8-cyclohexyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzoic acid
CID 20761845
ethyl 5-[4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxyphenyl]-1,3,4-oxadiazole-2-carboxylate
CID 175603854
4-[(9-cyclopentyl-5,7,8-trimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzoic acid
CID 68739870
(7R)-2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-2-methoxyanilino]-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
CID 171081944
4-[(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)amino]-3-methoxy-N-methylbenzamide
CID 66672556

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol?
The IUPAC name of 8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol (CID 174310496) is 8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol.
What is the SMILES notation for 8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol?
The canonical SMILES for 8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol is CCC1C(O)N(C)c2cnc(Nc3ccccc3OC)nc2N1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol?
The InChIKey is IDSXRHVSXZTOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-4-16-20(27)25(2)17-13-22-21(23-15-11-7-8-12-18(15)28-3)24-19(17)26(16)14-9-5-6-10-14/h7-8,11-14,16,20,27H,4-6,9-10H2,1-3H3,(H,22,23,24).
What are the key properties of 8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol?
8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol has a molecular weight of 383.50 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7-ethyl-2-(2-methoxyanilino)-5-methyl-6,7-dihydropteridin-6-ol is sourced from PubChem (CID 174310496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).