2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine

C15H17ClFN3 — CID 80951235

IUPAC2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine
SMILESCc1cc(F)cc(Nc2cc(Cl)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C15H17ClFN3/c1-9-5-10(17)7-11(6-9)18-13-8-12(16)19-14(20-13)15(2,3)4/h5-8H,1-4H3,(H,18,19,20)
InChIKeyAEXWQUOKCMDTTQ-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.62
Rot. Bonds2

About 2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine (PubChem CID 80951235) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine
PubChem CID80951235
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine
SMILESCc1cc(F)cc(Nc2cc(Cl)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C15H17ClFN3/c1-9-5-10(17)7-11(6-9)18-13-8-12(16)19-14(20-13)15(2,3)4/h5-8H,1-4H3,(H,18,19,20)
InChIKeyAEXWQUOKCMDTTQ-UHFFFAOYSA-N
XLogP4.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767003
N-(3-bromo-4-methylphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 80951056
2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968503
2-tert-butyl-6-chloro-N-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 80948283
N-(4-bromo-2-fluorophenyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 80948291
2-tert-butyl-6-chloro-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80948595
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine
CID 79050159
6-chloro-2-N-(3,5-difluorophenyl)pyridine-2,4-diamine
CID 114070537
2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649807
2-tert-butyl-6-chloro-N-(2,3-dichlorophenyl)pyrimidin-4-amine
CID 80948773
2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80955468

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine (CID 80951235) is 2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine is Cc1cc(F)cc(Nc2cc(Cl)nc(C(C)(C)C)n2)c1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine?
The InChIKey is AEXWQUOKCMDTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-9-5-10(17)7-11(6-9)18-13-8-12(16)19-14(20-13)15(2,3)4/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine has a molecular weight of 293.77 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80951235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).