6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine

C14H15ClFN3O — CID 80876057

IUPAC6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2ccc(F)c(Cl)c2)c1C(C)C
InChIInChI=1S/C14H15ClFN3O/c1-8(2)12-13(17-3)18-7-19-14(12)20-9-4-5-11(16)10(15)6-9/h4-8H,1-3H3,(H,17,18,19)
InChIKeyHLLSUROMHCBPNP-UHFFFAOYSA-N
MW295.75 g/mol
LogP4.23
Rot. Bonds4

About 6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine

6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80876057) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80876057
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2ccc(F)c(Cl)c2)c1C(C)C
InChIInChI=1S/C14H15ClFN3O/c1-8(2)12-13(17-3)18-7-19-14(12)20-9-4-5-11(16)10(15)6-9/h4-8H,1-3H3,(H,17,18,19)
InChIKeyHLLSUROMHCBPNP-UHFFFAOYSA-N
XLogP4.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80875888
6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80864200
4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80754783
[6-(3-bromo-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 83238473
6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 82717800
4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 83232893
4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide
CID 80874832
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 107171713
6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876304
6-(3-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80869449
4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80876211
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine (CID 80876057) is 6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine is CNc1ncnc(Oc2ccc(F)c(Cl)c2)c1C(C)C.
What is the InChIKey of 6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is HLLSUROMHCBPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-8(2)12-13(17-3)18-7-19-14(12)20-9-4-5-11(16)10(15)6-9/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of 6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 295.75 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80876057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).