N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine

C15H17BrClN3 — CID 80951056

IUPACN-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
SMILESCc1ccc(Nc2cc(Cl)nc(C(C)(C)C)n2)cc1Br
InChIInChI=1S/C15H17BrClN3/c1-9-5-6-10(7-11(9)16)18-13-8-12(17)19-14(20-13)15(2,3)4/h5-8H,1-4H3,(H,18,19,20)
InChIKeyAIIXKSGPNPWYPF-UHFFFAOYSA-N
MW354.68 g/mol
LogP5.24
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine

N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine (PubChem CID 80951056) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
PubChem CID80951056
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC NameN-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
SMILESCc1ccc(Nc2cc(Cl)nc(C(C)(C)C)n2)cc1Br
InChIInChI=1S/C15H17BrClN3/c1-9-5-6-10(7-11(9)16)18-13-8-12(17)19-14(20-13)15(2,3)4/h5-8H,1-4H3,(H,18,19,20)
InChIKeyAIIXKSGPNPWYPF-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-(3-fluoro-5-methylphenyl)pyrimidin-4-amine
CID 80951235
6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine
CID 112875945
2-tert-butyl-6-chloro-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80948595
4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771981
6-bromo-N-(3-bromo-4-methylphenyl)pyridin-2-amine
CID 63961760
4-N-(3-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80829480
N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 80948291
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 65436407
N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80544730
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine
CID 80948773

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine (CID 80951056) is N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine is Cc1ccc(Nc2cc(Cl)nc(C(C)(C)C)n2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine?
The InChIKey is AIIXKSGPNPWYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-9-5-6-10(7-11(9)16)18-13-8-12(17)19-14(20-13)15(2,3)4/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine?
N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-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-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine is sourced from PubChem (CID 80951056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).