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

C14H15ClFN3 — CID 105396107

IUPAC2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)cc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-14(2,3)13-18-11(7-12(17)19-13)9-6-8(16)4-5-10(9)15/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyYFSCQPRWNOVMMU-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.82
Rot. Bonds1

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

2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine (PubChem CID 105396107) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine
PubChem CID105396107
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(N)cc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-14(2,3)13-18-11(7-12(17)19-13)9-6-8(16)4-5-10(9)15/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyYFSCQPRWNOVMMU-UHFFFAOYSA-N
XLogP3.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine
CID 107514530
2-tert-butyl-4-chloro-6-(2,5-dichlorophenyl)pyrimidine
CID 80953036
2-tert-butyl-4-N-(2-chloro-5-methylphenyl)pyrimidine-4,6-diamine
CID 107638933
2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine
CID 80965067
2-tert-butyl-4-chloro-6-(2,4,5-trifluorophenyl)pyrimidine
CID 115503244
6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine
CID 105396176
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
CID 107617678
6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 105396158
5-bromo-6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 66306206
4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine
CID 105395993
4-(2-chloro-5-fluorophenyl)aniline
CID 105395647
6-(5-bromo-2-chlorophenoxy)-2-tert-butylpyrimidin-4-amine
CID 80962529

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine (CID 105396107) is 2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine is CC(C)(C)c1nc(N)cc(-c2cc(F)ccc2Cl)n1.
What is the InChIKey of 2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine?
The InChIKey is YFSCQPRWNOVMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-14(2,3)13-18-11(7-12(17)19-13)9-6-8(16)4-5-10(9)15/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine?
2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine has a molecular weight of 279.75 g/mol, XLogP of 3.82, 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-(2-chloro-5-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 105396107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).