2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine

C15H17ClFN3 — CID 115504863

IUPAC2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H17ClFN3/c1-8-12(9-5-10(16)7-11(17)6-9)19-14(15(2,3)4)20-13(8)18/h5-7H,1-4H3,(H2,18,19,20)
InChIKeyKAJJRCMFOWPWGO-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.12
Rot. Bonds1

About 2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine

2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine (PubChem CID 115504863) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
PubChem CID115504863
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H17ClFN3/c1-8-12(9-5-10(16)7-11(17)6-9)19-14(15(2,3)4)20-13(8)18/h5-7H,1-4H3,(H2,18,19,20)
InChIKeyKAJJRCMFOWPWGO-UHFFFAOYSA-N
XLogP4.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-chloro-6-(3-fluoro-5-methylphenyl)-5-methylpyrimidine
CID 80975399
2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-5-methylpyrimidin-4-amine
CID 82804234
2-tert-butyl-6-(3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80975520
2-tert-butyl-5-methyl-6-phenylpyrimidin-4-amine
CID 80975412
2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine
CID 114454475
3-(3-chloro-5-fluorophenyl)pyrazin-2-amine
CID 115504800
3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine
CID 115504711
2-tert-butyl-6-(2,3-difluorophenyl)-5-methylpyrimidin-4-amine
CID 80977138
2-tert-butyl-6-(2,5-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80975360
2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine
CID 80991048
4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine
CID 115504839
6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine
CID 113324874

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine (CID 115504863) is 2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine is Cc1c(N)nc(C(C)(C)C)nc1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine?
The InChIKey is KAJJRCMFOWPWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-8-12(9-5-10(16)7-11(17)6-9)19-14(15(2,3)4)20-13(8)18/h5-7H,1-4H3,(H2,18,19,20).
What are the key properties of 2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine?
2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine has a molecular weight of 293.77 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 115504863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).