formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine

C23H30N6O6 — CID 166598207

IUPACformic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2nccn2CC2CN(C)CCO2)cc1-c1ncc(C)c(N)n1.O=CO.O=CO
InChIInChI=1S/C21H26N6O2.2CH2O2/c1-14-11-24-20(25-19(14)22)17-10-15(4-5-18(17)28-3)21-23-6-7-27(21)13-16-12-26(2)8-9-29-16;2*2-1-3/h4-7,10-11,16H,8-9,12-13H2,1-3H3,(H2,22,24,25);2*1H,(H,2,3)
InChIKeyACTRVNQDOAKAHK-UHFFFAOYSA-N
MW486.53 g/mol
LogP1.64
Rot. Bonds5

About formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine

formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine (PubChem CID 166598207) has the molecular formula C23H30N6O6 and a molecular weight of 486.53 g/mol. Its IUPAC name is formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Nameformic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine
PubChem CID166598207
Molecular FormulaC23H30N6O6
Molecular Weight486.53 g/mol
Exact Mass486.22
IUPAC Nameformic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2nccn2CC2CN(C)CCO2)cc1-c1ncc(C)c(N)n1.O=CO.O=CO
InChIInChI=1S/C21H26N6O2.2CH2O2/c1-14-11-24-20(25-19(14)22)17-10-15(4-5-18(17)28-3)21-23-6-7-27(21)13-16-12-26(2)8-9-29-16;2*2-1-3/h4-7,10-11,16H,8-9,12-13H2,1-3H3,(H2,22,24,25);2*1H,(H,2,3)
InChIKeyACTRVNQDOAKAHK-UHFFFAOYSA-N
XLogP1.64
TPSA165.92 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[[2-(2-methylphenyl)imidazol-1-yl]methyl]morpholine
CID 154821341
2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid
CID 171322062
1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde
CID 79182107
2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine
CID 154565707
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175
formic acid;3-methoxy-6-[2-methoxy-5-[1-(2-pyridin-2-ylethyl)imidazol-2-yl]phenyl]pyridazine
CID 171708489
2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine
CID 146040864
formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide
CID 171686529
formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
CID 163334791
2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid
CID 154570731
(4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate
CID 79182993
4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one
CID 166620077

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine?
The IUPAC name of formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine (CID 166598207) is formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine is COc1ccc(-c2nccn2CC2CN(C)CCO2)cc1-c1ncc(C)c(N)n1.O=CO.O=CO.
What is the InChIKey of formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine?
The InChIKey is ACTRVNQDOAKAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2.2CH2O2/c1-14-11-24-20(25-19(14)22)17-10-15(4-5-18(17)28-3)21-23-6-7-27(21)13-16-12-26(2)8-9-29-16;2*2-1-3/h4-7,10-11,16H,8-9,12-13H2,1-3H3,(H2,22,24,25);2*1H,(H,2,3).
What are the key properties of formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine?
formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine has a molecular weight of 486.53 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 166598207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).