2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one

C19H26N6O2 — CID 143189203

IUPAC2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one
SMILESCC1C(=O)N(C)c2cnc(Nc3ccc(N)cc3O)nc2N1CC(C)(C)C
InChIInChI=1S/C19H26N6O2/c1-11-17(27)24(5)14-9-21-18(22-13-7-6-12(20)8-15(13)26)23-16(14)25(11)10-19(2,3)4/h6-9,11,26H,10,20H2,1-5H3,(H,21,22,23)
InChIKeyPOCGZOBZWOQKGA-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.73
Rot. Bonds3

About 2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one

2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one (PubChem CID 143189203) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one.

Molecular Properties

Compound Name2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one
PubChem CID143189203
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one
SMILESCC1C(=O)N(C)c2cnc(Nc3ccc(N)cc3O)nc2N1CC(C)(C)C
InChIInChI=1S/C19H26N6O2/c1-11-17(27)24(5)14-9-21-18(22-13-7-6-12(20)8-15(13)26)23-16(14)25(11)10-19(2,3)4/h6-9,11,26H,10,20H2,1-5H3,(H,21,22,23)
InChIKeyPOCGZOBZWOQKGA-UHFFFAOYSA-N
XLogP2.73
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one
CID 89246483
4-[[(7R)-5,7-dimethyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzamide
CID 171355050
4-[[5,7-dimethyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 11376098
4-[(8-cyclohexyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzoic acid
CID 20761845
3-chloro-4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 11466391
2-(4-acetyl-2-hydroxyanilino)-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 153337342
4-[[(7R)-5,7-dimethyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(4-morpholin-4-ylcyclohexyl)benzamide
CID 11238573
4-[(7-ethyl-5-methyl-6-oxo-8-pentan-3-yl-7H-pteridin-2-yl)amino]-3-methoxybenzoic acid
CID 143660516
4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-phenyl-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid
CID 59989659
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
5-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-4-methoxypyridine-2-carboxylic acid
CID 178015512
4-[[(7R)-8-tert-butyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-iodopiperidin-4-yl)-3-methoxybenzamide
CID 145208012

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one?
The IUPAC name of 2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one (CID 143189203) is 2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one.
What is the SMILES notation for 2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one?
The canonical SMILES for 2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one is CC1C(=O)N(C)c2cnc(Nc3ccc(N)cc3O)nc2N1CC(C)(C)C.
What is the InChIKey of 2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one?
The InChIKey is POCGZOBZWOQKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-11-17(27)24(5)14-9-21-18(22-13-7-6-12(20)8-15(13)26)23-16(14)25(11)10-19(2,3)4/h6-9,11,26H,10,20H2,1-5H3,(H,21,22,23).
What are the key properties of 2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one?
2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one has a molecular weight of 370.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one is sourced from PubChem (CID 143189203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).