N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine

C23H26BrN3 — CID 18691318

IUPACN-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine
SMILESCCN(c1nc(C)cc(-c2ccccc2C)n1)c1ccc(C(C)C)cc1Br
InChIInChI=1S/C23H26BrN3/c1-6-27(22-12-11-18(15(2)3)14-20(22)24)23-25-17(5)13-21(26-23)19-10-8-7-9-16(19)4/h7-15H,6H2,1-5H3
InChIKeyPUGBKVCCHHINNX-UHFFFAOYSA-N
MW424.39 g/mol
LogP6.80
Rot. Bonds5

About N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine

N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine (PubChem CID 18691318) has the molecular formula C23H26BrN3 and a molecular weight of 424.39 g/mol. Its IUPAC name is N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine
PubChem CID18691318
Molecular FormulaC23H26BrN3
Molecular Weight424.39 g/mol
Exact Mass423.13
IUPAC NameN-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine
SMILESCCN(c1nc(C)cc(-c2ccccc2C)n1)c1ccc(C(C)C)cc1Br
InChIInChI=1S/C23H26BrN3/c1-6-27(22-12-11-18(15(2)3)14-20(22)24)23-25-17(5)13-21(26-23)19-10-8-7-9-16(19)4/h7-15H,6H2,1-5H3
InChIKeyPUGBKVCCHHINNX-UHFFFAOYSA-N
XLogP6.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.39
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylpyrimidin-2-amine
CID 9892513
(2-Bromo-4-isopropyl-phenyl)-ethyl-[4-methyl-6-(2-trifluoromethyl-phenyl)-pyrimidin-2-yl]-amine
CID 9912938
(2-Bromo-4-isopropyl-phenyl)-ethyl-[4-methyl-6-(2-nitro-phenyl)-pyrimidin-2-yl]-amine
CID 10095518
(2-Bromo-4-isopropyl-phenyl)-ethyl-[4-methyl-6-(2-trifluoromethyl-phenyl)-[1,3,5]triazin-2-yl]-amine
CID 10367821
(2-Bromo-4-tert-butyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-ethyl-amine
CID 10498852
(2-Bromo-4-isopropyl-phenyl)-ethyl-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)-amine
CID 10549990
(2-Bromo-4-isopropyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-methyl-amine
CID 10616689
2-N-(2-bromo-4-propan-2-ylphenyl)-2-N,4-N,4-N-triethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 10621342
(2-Bromo-4-ethyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-methyl-amine
CID 10663467
(2-Bromo-4-butyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-ethyl-amine
CID 10666336
(2-Bromo-4-isopropyl-phenyl)-(4,6-diethyl-pyrimidin-2-yl)-ethyl-amine
CID 10667231
(4,6-Dimethyl-pyrimidin-2-yl)-ethyl-(2-iodo-4-isopropyl-phenyl)-amine
CID 10786842

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine (CID 18691318) is N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine is CCN(c1nc(C)cc(-c2ccccc2C)n1)c1ccc(C(C)C)cc1Br.
What is the InChIKey of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine?
The InChIKey is PUGBKVCCHHINNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3/c1-6-27(22-12-11-18(15(2)3)14-20(22)24)23-25-17(5)13-21(26-23)19-10-8-7-9-16(19)4/h7-15H,6H2,1-5H3.
What are the key properties of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine?
N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine has a molecular weight of 424.39 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 18691318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).