N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

C21H23FN4O2 — CID 56553548

IUPACN'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(C(CNc2nccc(Oc3ccc(F)cc3)n2)N(C)C)cc1
InChIInChI=1S/C21H23FN4O2/c1-26(2)19(15-4-8-17(27-3)9-5-15)14-24-21-23-13-12-20(25-21)28-18-10-6-16(22)7-11-18/h4-13,19H,14H2,1-3H3,(H,23,24,25)
InChIKeyRMWASBIIVXJXBC-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.13
Rot. Bonds8

About N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 56553548) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID56553548
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(C(CNc2nccc(Oc3ccc(F)cc3)n2)N(C)C)cc1
InChIInChI=1S/C21H23FN4O2/c1-26(2)19(15-4-8-17(27-3)9-5-15)14-24-21-23-13-12-20(25-21)28-18-10-6-16(22)7-11-18/h4-13,19H,14H2,1-3H3,(H,23,24,25)
InChIKeyRMWASBIIVXJXBC-UHFFFAOYSA-N
XLogP4.13
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924
N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 102555419
4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine
CID 56575410
4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 56553691
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553337
1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine
CID 82538540
4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine
CID 56575483
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 133411339
4-(4-fluorophenoxy)-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 133311843
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 56553548) is N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is COc1ccc(C(CNc2nccc(Oc3ccc(F)cc3)n2)N(C)C)cc1.
What is the InChIKey of N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is RMWASBIIVXJXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-26(2)19(15-4-8-17(27-3)9-5-15)14-24-21-23-13-12-20(25-21)28-18-10-6-16(22)7-11-18/h4-13,19H,14H2,1-3H3,(H,23,24,25).
What are the key properties of N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 382.44 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 56553548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).