N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide

C22H32N4O2 — CID 137201424

IUPACN'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide
SMILESCCCCCCCCCOc1ccc(-c2ncc(/N=C/N(C)C)cn2)c(O)c1
InChIInChI=1S/C22H32N4O2/c1-4-5-6-7-8-9-10-13-28-19-11-12-20(21(27)14-19)22-23-15-18(16-24-22)25-17-26(2)3/h11-12,14-17,27H,4-10,13H2,1-3H3/b25-17+
InChIKeyJQHSJFGFQWJLQY-KOEQRZSOSA-N
MW384.52 g/mol
LogP5.20
Rot. Bonds12

About N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide

N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide (PubChem CID 137201424) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide
PubChem CID137201424
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide
SMILESCCCCCCCCCOc1ccc(-c2ncc(/N=C/N(C)C)cn2)c(O)c1
InChIInChI=1S/C22H32N4O2/c1-4-5-6-7-8-9-10-13-28-19-11-12-20(21(27)14-19)22-23-15-18(16-24-22)25-17-26(2)3/h11-12,14-17,27H,4-10,13H2,1-3H3/b25-17+
InChIKeyJQHSJFGFQWJLQY-KOEQRZSOSA-N
XLogP5.20
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol
CID 137235231
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-hexoxyphenol
CID 135581689
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-tridecoxyphenol
CID 135828198
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 161357419
4-hexoxybenzene-1,2-diol
CID 23459322
2-[[4-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-octadecoxyphenol
CID 136722312
2-[4-(2-methylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 141239106
2-(2-fluoro-4-heptoxyphenyl)-5-nonoxypyrimidine
CID 15065975
2-[(4-hexoxyphenyl)iminomethyl]-5-octoxyphenol
CID 136805582
2-[(4-octoxyphenyl)iminomethyl]-5-pentoxyphenol
CID 136805594
2-[[4-[11-[4-[(2-hydroxy-4-octoxyphenyl)methylideneamino]phenoxy]undecoxy]phenyl]iminomethyl]-5-octoxyphenol
CID 136872509
2-[4,6-bis(4-chlorophenyl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;octane
CID 158984811

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide (CID 137201424) is N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide is CCCCCCCCCOc1ccc(-c2ncc(/N=C/N(C)C)cn2)c(O)c1.
What is the InChIKey of N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
The InChIKey is JQHSJFGFQWJLQY-KOEQRZSOSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-4-5-6-7-8-9-10-13-28-19-11-12-20(21(27)14-19)22-23-15-18(16-24-22)25-17-26(2)3/h11-12,14-17,27H,4-10,13H2,1-3H3/b25-17+.
What are the key properties of N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide has a molecular weight of 384.52 g/mol, XLogP of 5.20, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 137201424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).