N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine

C25H23N3O2 — CID 59703134

IUPACN-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine
SMILESCc1ccc(Oc2cc(Nc3ncc(C)cn3)cc(Oc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C25H23N3O2/c1-17-4-8-21(9-5-17)29-23-12-20(28-25-26-15-19(3)16-27-25)13-24(14-23)30-22-10-6-18(2)7-11-22/h4-16H,1-3H3,(H,26,27,28)
InChIKeyJOEMWBPKXFLNNP-UHFFFAOYSA-N
MW397.48 g/mol
LogP6.73
Rot. Bonds6

About N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine

N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine (PubChem CID 59703134) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine
PubChem CID59703134
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine
SMILESCc1ccc(Oc2cc(Nc3ncc(C)cn3)cc(Oc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C25H23N3O2/c1-17-4-8-21(9-5-17)29-23-12-20(28-25-26-15-19(3)16-27-25)13-24(14-23)30-22-10-6-18(2)7-11-22/h4-16H,1-3H3,(H,26,27,28)
InChIKeyJOEMWBPKXFLNNP-UHFFFAOYSA-N
XLogP6.73
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
CID 101414938
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
N-ethyl-5-(4-methylphenoxy)pyridin-3-amine
CID 104536266
5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 63874390
[6-(4-methylphenoxy)-3-pyridinyl]hydrazine
CID 69019702
4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 172680342
ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate
CID 110178694
N'-[5-(4-methylphenoxy)pyrimidin-2-yl]propane-1,3-diamine
CID 117224560
N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine
CID 63208281
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine (CID 59703134) is N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine is Cc1ccc(Oc2cc(Nc3ncc(C)cn3)cc(Oc3ccc(C)cc3)c2)cc1.
What is the InChIKey of N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine?
The InChIKey is JOEMWBPKXFLNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17-4-8-21(9-5-17)29-23-12-20(28-25-26-15-19(3)16-27-25)13-24(14-23)30-22-10-6-18(2)7-11-22/h4-16H,1-3H3,(H,26,27,28).
What are the key properties of N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine?
N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine has a molecular weight of 397.48 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(4-methylphenoxy)phenyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 59703134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).