N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide

C20H18N6O3 — CID 174765912

IUPACN-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide
SMILESCOc1ccccc1Cn1cnc2c(NC=O)nc(Nc3cccc(O)c3)nc21
InChIInChI=1S/C20H18N6O3/c1-29-16-8-3-2-5-13(16)10-26-11-21-17-18(22-12-27)24-20(25-19(17)26)23-14-6-4-7-15(28)9-14/h2-9,11-12,28H,10H2,1H3,(H2,22,23,24,25,27)
InChIKeyRZAUCMHNSHPIDC-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.90
Rot. Bonds7

About N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide

N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide (PubChem CID 174765912) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide
PubChem CID174765912
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC NameN-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide
SMILESCOc1ccccc1Cn1cnc2c(NC=O)nc(Nc3cccc(O)c3)nc21
InChIInChI=1S/C20H18N6O3/c1-29-16-8-3-2-5-13(16)10-26-11-21-17-18(22-12-27)24-20(25-19(17)26)23-14-6-4-7-15(28)9-14/h2-9,11-12,28H,10H2,1H3,(H2,22,23,24,25,27)
InChIKeyRZAUCMHNSHPIDC-UHFFFAOYSA-N
XLogP2.90
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide
CID 174765910
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 91963240
3-(2-methoxyanilino)phenol
CID 82537348
N-[2-(2-hydroxyethylamino)-9-[(2-methoxyphenyl)methyl]-8-oxo-7H-purin-6-yl]formamide
CID 174885396
(2R)-2-[[9-ethyl-6-(3-methoxyanilino)purin-2-yl]amino]butan-1-ol
CID 21039974
N-(3-hydroxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 43082666
3-[[6-[(2-amino-3-methoxyphenyl)methylamino]-9-benzylpurin-2-yl]amino]pentan-2-ol
CID 67003057
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid
CID 91963258
N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide
CID 15733211
methyl 3-[[4-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112918264
9-benzyl-2-chloro-N-(3-propan-2-yloxyphenyl)purin-6-amine
CID 5271944
2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257842

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide?
The IUPAC name of N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide (CID 174765912) is N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide.
What is the SMILES notation for N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide?
The canonical SMILES for N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide is COc1ccccc1Cn1cnc2c(NC=O)nc(Nc3cccc(O)c3)nc21.
What is the InChIKey of N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide?
The InChIKey is RZAUCMHNSHPIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-29-16-8-3-2-5-13(16)10-26-11-21-17-18(22-12-27)24-20(25-19(17)26)23-14-6-4-7-15(28)9-14/h2-9,11-12,28H,10H2,1H3,(H2,22,23,24,25,27).
What are the key properties of N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide?
N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide has a molecular weight of 390.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide is sourced from PubChem (CID 174765912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).