N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine

C22H24BrN3O3 — CID 18691311

IUPACN-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCCN(c1nc(C)cc(-c2ccccc2OC)n1)c1c(Br)cc(OC)cc1OC
InChIInChI=1S/C22H24BrN3O3/c1-6-26(21-17(23)12-15(27-3)13-20(21)29-5)22-24-14(2)11-18(25-22)16-9-7-8-10-19(16)28-4/h7-13H,6H2,1-5H3
InChIKeyBLZURCDEJGRCOY-UHFFFAOYSA-N
MW458.36 g/mol
LogP5.40
Rot. Bonds7

About N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine

N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine (PubChem CID 18691311) has the molecular formula C22H24BrN3O3 and a molecular weight of 458.36 g/mol. Its IUPAC name is N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine
PubChem CID18691311
Molecular FormulaC22H24BrN3O3
Molecular Weight458.36 g/mol
Exact Mass457.10
IUPAC NameN-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCCN(c1nc(C)cc(-c2ccccc2OC)n1)c1c(Br)cc(OC)cc1OC
InChIInChI=1S/C22H24BrN3O3/c1-6-26(21-17(23)12-15(27-3)13-20(21)29-5)22-24-14(2)11-18(25-22)16-9-7-8-10-19(16)28-4/h7-13H,6H2,1-5H3
InChIKeyBLZURCDEJGRCOY-UHFFFAOYSA-N
XLogP5.40
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.36
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine (CID 18691311) is N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine is CCN(c1nc(C)cc(-c2ccccc2OC)n1)c1c(Br)cc(OC)cc1OC.
What is the InChIKey of N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is BLZURCDEJGRCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O3/c1-6-26(21-17(23)12-15(27-3)13-20(21)29-5)22-24-14(2)11-18(25-22)16-9-7-8-10-19(16)28-4/h7-13H,6H2,1-5H3.
What are the key properties of N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine?
N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 458.36 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 18691311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).