N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine

C23H27BrN4 — CID 15490819

IUPACN-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine
SMILESCCN(c1nc(C)cc(-c2ccccc2NC)n1)c1ccc(C(C)C)cc1Br
InChIInChI=1S/C23H27BrN4/c1-6-28(22-12-11-17(15(2)3)14-19(22)24)23-26-16(4)13-21(27-23)18-9-7-8-10-20(18)25-5/h7-15,25H,6H2,1-5H3
InChIKeyBWDYYUQXURRZMQ-UHFFFAOYSA-N
MW439.40 g/mol
LogP6.54
Rot. Bonds6

About N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine

N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine (PubChem CID 15490819) has the molecular formula C23H27BrN4 and a molecular weight of 439.40 g/mol. Its IUPAC name is N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine
PubChem CID15490819
Molecular FormulaC23H27BrN4
Molecular Weight439.40 g/mol
Exact Mass438.14
IUPAC NameN-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine
SMILESCCN(c1nc(C)cc(-c2ccccc2NC)n1)c1ccc(C(C)C)cc1Br
InChIInChI=1S/C23H27BrN4/c1-6-28(22-12-11-17(15(2)3)14-19(22)24)23-26-16(4)13-21(27-23)18-9-7-8-10-20(18)25-5/h7-15,25H,6H2,1-5H3
InChIKeyBWDYYUQXURRZMQ-UHFFFAOYSA-N
XLogP6.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.40
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-((3,5-Difluorobenzyl)amino)phenyl)-6-ethylpyrimidine-2,4-diamine
CID 6914633
N6-[(3-bromophenyl)methyl]quinazoline-2,4,6-triamine
CID 44384038
N-biphenyl-2-yl-N'-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 9586756
N~4~-benzyl-N~2~-(4-bromophenyl)quinazoline-2,4-diamine
CID 1943389
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-Bromo-4-ethyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-methyl-amine
CID 10663467

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine (CID 15490819) is N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine is CCN(c1nc(C)cc(-c2ccccc2NC)n1)c1ccc(C(C)C)cc1Br.
What is the InChIKey of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine?
The InChIKey is BWDYYUQXURRZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN4/c1-6-28(22-12-11-17(15(2)3)14-19(22)24)23-26-16(4)13-21(27-23)18-9-7-8-10-20(18)25-5/h7-15,25H,6H2,1-5H3.
What are the key properties of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine?
N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-[2-(methylamino)phenyl]pyrimidin-2-amine has a molecular weight of 439.40 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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-(methylamino)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 15490819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).