N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine

C21H23N3O — CID 141094864

IUPACN-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine
SMILESCOc1ccccc1CCN(c1ccccc1)c1nc(C)cc(C)n1
InChIInChI=1S/C21H23N3O/c1-16-15-17(2)23-21(22-16)24(19-10-5-4-6-11-19)14-13-18-9-7-8-12-20(18)25-3/h4-12,15H,13-14H2,1-3H3
InChIKeyQLIUMSYMYJBQEJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.48
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine

N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine (PubChem CID 141094864) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine
PubChem CID141094864
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine
SMILESCOc1ccccc1CCN(c1ccccc1)c1nc(C)cc(C)n1
InChIInChI=1S/C21H23N3O/c1-16-15-17(2)23-21(22-16)24(19-10-5-4-6-11-19)14-13-18-9-7-8-12-20(18)25-3/h4-12,15H,13-14H2,1-3H3
InChIKeyQLIUMSYMYJBQEJ-UHFFFAOYSA-N
XLogP4.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine (CID 141094864) is N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine is COc1ccccc1CCN(c1ccccc1)c1nc(C)cc(C)n1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine?
The InChIKey is QLIUMSYMYJBQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-15-17(2)23-21(22-16)24(19-10-5-4-6-11-19)14-13-18-9-7-8-12-20(18)25-3/h4-12,15H,13-14H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine?
N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine has a molecular weight of 333.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-4,6-dimethyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 141094864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).