N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide

C16H18N8O2 — CID 162379149

IUPACN'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide
SMILESCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(/C(N)=N/O)nc21
InChIInChI=1S/C16H18N8O2/c1-23-14(10-2-4-18-5-3-10)19-11-15(23)20-13(12(17)22-25)21-16(11)24-6-8-26-9-7-24/h2-5,25H,6-9H2,1H3,(H2,17,22)
InChIKeySOJWYGLXQZDHME-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.36
Rot. Bonds3

About N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide

N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide (PubChem CID 162379149) has the molecular formula C16H18N8O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide
PubChem CID162379149
Molecular FormulaC16H18N8O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC NameN'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide
SMILESCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(/C(N)=N/O)nc21
InChIInChI=1S/C16H18N8O2/c1-23-14(10-2-4-18-5-3-10)19-11-15(23)20-13(12(17)22-25)21-16(11)24-6-8-26-9-7-24/h2-5,25H,6-9H2,1H3,(H2,17,22)
InChIKeySOJWYGLXQZDHME-UHFFFAOYSA-N
XLogP0.36
TPSA127.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboxylic acid
CID 168920808
4-[2-(3-bromopyrazol-1-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921204
4-[2-(1-ethylpyrazol-3-yl)-9-methyl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921077
(1Z,3E)-3-(9-ethyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)-1-phenylbuta-1,3-diene-1,4-diamine
CID 168921334
4-[2-chloro-9-(methylsulfonylmethyl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921437
tert-butyl 3-[4-(9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 162379193
N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide
CID 135517571
4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine
CID 168920860
4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
CID 59806507
4-[9-ethyl-2-(4-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921480
(Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine
CID 168921019
4-[9-ethyl-2-(6-methyl-5-phenylpyridazin-3-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921146

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide?
The IUPAC name of N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide (CID 162379149) is N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide is Cn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(/C(N)=N/O)nc21.
What is the InChIKey of N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide?
The InChIKey is SOJWYGLXQZDHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2/c1-23-14(10-2-4-18-5-3-10)19-11-15(23)20-13(12(17)22-25)21-16(11)24-6-8-26-9-7-24/h2-5,25H,6-9H2,1H3,(H2,17,22).
What are the key properties of N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide?
N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide has a molecular weight of 354.37 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide is sourced from PubChem (CID 162379149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).