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

C20H17N5O3 — CID 174765910

IUPACN-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide
SMILESCOc1ccccc1Cn1cnc2c(NC=O)nc(-c3cccc(O)c3)nc21
InChIInChI=1S/C20H17N5O3/c1-28-16-8-3-2-5-14(16)10-25-11-21-17-19(22-12-26)23-18(24-20(17)25)13-6-4-7-15(27)9-13/h2-9,11-12,27H,10H2,1H3,(H,22,23,24,26)
InChIKeyRUNVLGOEGJHWKD-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.82
Rot. Bonds6

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

N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide (PubChem CID 174765910) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide
PubChem CID174765910
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide
SMILESCOc1ccccc1Cn1cnc2c(NC=O)nc(-c3cccc(O)c3)nc21
InChIInChI=1S/C20H17N5O3/c1-28-16-8-3-2-5-14(16)10-25-11-21-17-19(22-12-26)23-18(24-20(17)25)13-6-4-7-15(27)9-13/h2-9,11-12,27H,10H2,1H3,(H,22,23,24,26)
InChIKeyRUNVLGOEGJHWKD-UHFFFAOYSA-N
XLogP2.82
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxyanilino)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide
CID 174765912
3-[(2-methoxyphenyl)methyl]benzimidazole-5-carboxylic acid
CID 82769947
N-[2-[2-(hydroxymethyl)anilino]-9-[(2-methoxyphenyl)methyl]-8-oxo-7H-purin-6-yl]formamide
CID 174765922
N-[9-(2,5-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purin-6-yl]formamide
CID 174765925
1-[2-[2-(3-acetylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]purin-9-yl]ethyl]pyrrolidin-2-one
CID 117086122
N-[2-(2-chloro-3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]formamide
CID 174956253
2-chloro-9-[(2-chlorophenyl)methyl]-N-methylpurin-6-amine
CID 54051665
(2R)-5-[6-(benzylamino)-2-(3-hydroxyphenyl)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
CID 175465226
N-[3-[(6-methoxypurin-9-yl)methyl]phenyl]formamide
CID 15733211
2-(2-methoxyphenyl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515649
3-[4-amino-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-2-yl]phenol
CID 69287814
5-deuterio-3-[(2-methoxyphenyl)methyl]quinazolin-4-one
CID 175898338

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide (CID 174765910) is N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide is COc1ccccc1Cn1cnc2c(NC=O)nc(-c3cccc(O)c3)nc21.
What is the InChIKey of N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide?
The InChIKey is RUNVLGOEGJHWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-28-16-8-3-2-5-14(16)10-25-11-21-17-19(22-12-26)23-18(24-20(17)25)13-6-4-7-15(27)9-13/h2-9,11-12,27H,10H2,1H3,(H,22,23,24,26).
What are the key properties of N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide?
N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide has a molecular weight of 375.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)-9-[(2-methoxyphenyl)methyl]purin-6-yl]formamide is sourced from PubChem (CID 174765910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).