N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine

C15H17BrClN3 — CID 80973472

IUPACN-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1Nc1ccc(Br)cc1
InChIInChI=1S/C15H17BrClN3/c1-9-12(17)19-14(15(2,3)4)20-13(9)18-11-7-5-10(16)6-8-11/h5-8H,1-4H3,(H,18,19,20)
InChIKeyKMOUYKSEDQOKGD-UHFFFAOYSA-N
MW354.68 g/mol
LogP5.24
Rot. Bonds2

About N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine

N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine (PubChem CID 80973472) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine
PubChem CID80973472
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC NameN-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1Nc1ccc(Br)cc1
InChIInChI=1S/C15H17BrClN3/c1-9-12(17)19-14(15(2,3)4)20-13(9)18-11-7-5-10(16)6-8-11/h5-8H,1-4H3,(H,18,19,20)
InChIKeyKMOUYKSEDQOKGD-UHFFFAOYSA-N
XLogP5.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-chloro-N-(4-chlorophenyl)-5-methylpyrimidin-4-amine
CID 80974542
4-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80980058
2-tert-butyl-6-chloro-N-(3,4-difluorophenyl)-5-methylpyrimidin-4-amine
CID 80973758
2-tert-butyl-6-chloro-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974151
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80973324
N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine
CID 63271712
4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80984109
2-tert-butyl-6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine
CID 80978304
2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine
CID 103463623
2-tert-butyl-5-methyl-4-N-(4-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 80976694
4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
CID 80973130
2-tert-butyl-6-chloro-5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80972406

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine (CID 80973472) is N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)(C)C)nc1Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine?
The InChIKey is KMOUYKSEDQOKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-9-12(17)19-14(15(2,3)4)20-13(9)18-11-7-5-10(16)6-8-11/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine?
N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine has a molecular weight of 354.68 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80973472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).