N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine

C16H20BrN3 — CID 10616689

IUPACN-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)c2ccc(C(C)C)cc2Br)n1
InChIInChI=1S/C16H20BrN3/c1-10(2)13-6-7-15(14(17)9-13)20(5)16-18-11(3)8-12(4)19-16/h6-10H,1-5H3
InChIKeyNZHPYWKTCLZWBM-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.75
Rot. Bonds3

About N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine

N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine (PubChem CID 10616689) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine
PubChem CID10616689
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)c2ccc(C(C)C)cc2Br)n1
InChIInChI=1S/C16H20BrN3/c1-10(2)13-6-7-15(14(17)9-13)20(5)16-18-11(3)8-12(4)19-16/h6-10H,1-5H3
InChIKeyNZHPYWKTCLZWBM-UHFFFAOYSA-N
XLogP4.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine
CID 10062901
N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine
CID 18323826
N-(2-bromo-4-propan-2-ylphenyl)-N-methylpyridin-2-amine
CID 67761566
N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine
CID 67759023
1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine
CID 151828250
2-[2-(2-bromo-N-ethyl-4-propan-2-ylanilino)-6-methylpyrimidin-4-yl]benzoic acid
CID 18691315
2-(2-bromo-N-methylanilino)-6-methylpyrimidine-4-carboxylic acid
CID 115123702
(1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
CID 78940882
1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
CID 62912702
2-bromo-N-(3,5-dimethylphenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 63533609
2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-butyl-2-N,4-N-diethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 10694122
2-N-(2-bromo-4-propan-2-ylphenyl)-2-N-ethyl-6-methyl-4-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 10645784

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine (CID 10616689) is N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine is Cc1cc(C)nc(N(C)c2ccc(C(C)C)cc2Br)n1.
What is the InChIKey of N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine?
The InChIKey is NZHPYWKTCLZWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-10(2)13-6-7-15(14(17)9-13)20(5)16-18-11(3)8-12(4)19-16/h6-10H,1-5H3.
What are the key properties of N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine?
N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.75, 3 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,4,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 10616689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).