6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine

C15H17ClFN3 — CID 105396158

IUPAC6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2cc(F)ccc2Cl)nc(C(C)C)n1
InChIInChI=1S/C15H17ClFN3/c1-4-18-14-8-13(19-15(20-14)9(2)3)11-7-10(17)5-6-12(11)16/h5-9H,4H2,1-3H3,(H,18,19,20)
InChIKeyRCZMAKMJCMTFHV-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.49
Rot. Bonds4

About 6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine

6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 105396158) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID105396158
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2cc(F)ccc2Cl)nc(C(C)C)n1
InChIInChI=1S/C15H17ClFN3/c1-4-18-14-8-13(19-15(20-14)9(2)3)11-7-10(17)5-6-12(11)16/h5-9H,4H2,1-3H3,(H,18,19,20)
InChIKeyRCZMAKMJCMTFHV-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 107514561
6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine
CID 105396176
6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957160
N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
CID 80948151
N-ethyl-6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
CID 80952791
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 102988989
N-ethyl-2-propan-2-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 80952838
4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952149
4-N-(2,6-dichlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959350
6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
CID 80936764
6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769215
4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine
CID 105395993

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine (CID 105396158) is 6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine is CCNc1cc(-c2cc(F)ccc2Cl)nc(C(C)C)n1.
What is the InChIKey of 6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is RCZMAKMJCMTFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-4-18-14-8-13(19-15(20-14)9(2)3)11-7-10(17)5-6-12(11)16/h5-9H,4H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine?
6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 293.77 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 105396158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).