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

C15H17ClFN3 — CID 114488664

IUPAC6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C15H17ClFN3/c1-15(2,3)11-8-12(18-4)20-14(19-11)9-6-5-7-10(16)13(9)17/h5-8H,1-4H3,(H,18,19,20)
InChIKeyGPRRKPHIQXWLGT-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.28
Rot. Bonds2

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

6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine (PubChem CID 114488664) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine
PubChem CID114488664
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C15H17ClFN3/c1-15(2,3)11-8-12(18-4)20-14(19-11)9-6-5-7-10(16)13(9)17/h5-8H,1-4H3,(H,18,19,20)
InChIKeyGPRRKPHIQXWLGT-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine (CID 114488664) is 6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(-c2cccc(Cl)c2F)n1.
What is the InChIKey of 6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine?
The InChIKey is GPRRKPHIQXWLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-15(2,3)11-8-12(18-4)20-14(19-11)9-6-5-7-10(16)13(9)17/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of 6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine?
6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine has a molecular weight of 293.77 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(3-chloro-2-fluorophenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114488664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).