(7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one

C19H24N6O2 — CID 89246483

IUPAC(7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one
SMILESC=C(C)CN1c2nc(Nc3ccc(N)cc3OC)ncc2N(C)C(=O)[C@H]1C
InChIInChI=1S/C19H24N6O2/c1-11(2)10-25-12(3)18(26)24(4)15-9-21-19(23-17(15)25)22-14-7-6-13(20)8-16(14)27-5/h6-9,12H,1,10,20H2,2-5H3,(H,21,22,23)/t12-/m1/s1
InChIKeyCADXCDVXBXNHKZ-GFCCVEGCSA-N
MW368.44 g/mol
LogP2.56
Rot. Bonds5

About (7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one

(7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one (PubChem CID 89246483) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one
PubChem CID89246483
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name(7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one
SMILESC=C(C)CN1c2nc(Nc3ccc(N)cc3OC)ncc2N(C)C(=O)[C@H]1C
InChIInChI=1S/C19H24N6O2/c1-11(2)10-25-12(3)18(26)24(4)15-9-21-19(23-17(15)25)22-14-7-6-13(20)8-16(14)27-5/h6-9,12H,1,10,20H2,2-5H3,(H,21,22,23)/t12-/m1/s1
InChIKeyCADXCDVXBXNHKZ-GFCCVEGCSA-N
XLogP2.56
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[(7R)-5,7-dimethyl-8-(3-methylbutyl)-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzamide
CID 171355050
2-(4-amino-2-hydroxyanilino)-8-(2,2-dimethylpropyl)-5,7-dimethyl-7H-pteridin-6-one
CID 143189203
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
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-[[(7R)-7-ethyl-5-methyl-6-oxo-8-phenyl-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid
CID 59989659
4-[(7-ethyl-5-methyl-6-oxo-8-pentan-3-yl-7H-pteridin-2-yl)amino]-3-methoxybenzoic acid
CID 143660516
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-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-methoxybenzamide
CID 11549087
8-cyclopentyl-7-ethyl-2-(4-fluoro-2-methoxyanilino)-5-methyl-7H-pteridin-6-one
CID 171081446
4-[(9-butan-2-yl-5,7,8-trimethyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 163818079

Frequently Asked Questions

What is the IUPAC name of (7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one?
The IUPAC name of (7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one (CID 89246483) is (7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one.
What is the SMILES notation for (7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one?
The canonical SMILES for (7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one is C=C(C)CN1c2nc(Nc3ccc(N)cc3OC)ncc2N(C)C(=O)[C@H]1C.
What is the InChIKey of (7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one?
The InChIKey is CADXCDVXBXNHKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-11(2)10-25-12(3)18(26)24(4)15-9-21-19(23-17(15)25)22-14-7-6-13(20)8-16(14)27-5/h6-9,12H,1,10,20H2,2-5H3,(H,21,22,23)/t12-/m1/s1.
What are the key properties of (7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one?
(7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one has a molecular weight of 368.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(4-amino-2-methoxyanilino)-5,7-dimethyl-8-(2-methylprop-2-enyl)-7H-pteridin-6-one is sourced from PubChem (CID 89246483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).