N-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine

C24H29BrN4 — CID 18691321

IUPACN-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCN(c1nc(C)cc(-c2ccccc2N(C)C)n1)c1ccc(C(C)C)cc1Br
InChIInChI=1S/C24H29BrN4/c1-7-29(23-13-12-18(16(2)3)15-20(23)25)24-26-17(4)14-21(27-24)19-10-8-9-11-22(19)28(5)6/h8-16H,7H2,1-6H3
InChIKeyIUAVTUKIJBEVLZ-UHFFFAOYSA-N
MW453.43 g/mol
LogP6.56
Rot. Bonds6

About N-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine

N-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 18691321) has the molecular formula C24H29BrN4 and a molecular weight of 453.43 g/mol. Its IUPAC name is N-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID18691321
Molecular FormulaC24H29BrN4
Molecular Weight453.43 g/mol
Exact Mass452.16
IUPAC NameN-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCN(c1nc(C)cc(-c2ccccc2N(C)C)n1)c1ccc(C(C)C)cc1Br
InChIInChI=1S/C24H29BrN4/c1-7-29(23-13-12-18(16(2)3)15-20(23)25)24-26-17(4)14-21(27-24)19-10-8-9-11-22(19)28(5)6/h8-16H,7H2,1-6H3
InChIKeyIUAVTUKIJBEVLZ-UHFFFAOYSA-N
XLogP6.56
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.43
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-Bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile
CID 146027026
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

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine (CID 18691321) is N-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine is CCN(c1nc(C)cc(-c2ccccc2N(C)C)n1)c1ccc(C(C)C)cc1Br.
What is the InChIKey of N-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is IUAVTUKIJBEVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4/c1-7-29(23-13-12-18(16(2)3)15-20(23)25)24-26-17(4)14-21(27-24)19-10-8-9-11-22(19)28(5)6/h8-16H,7H2,1-6H3.
What are the key properties of N-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine?
N-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine has a molecular weight of 453.43 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-propan-2-ylphenyl)-4-[2-(dimethylamino)phenyl]-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 18691321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).