6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine

C15H17ClFN3O — CID 80864915

IUPAC6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFN3O/c1-3-5-11-14(18-4-2)19-9-20-15(11)21-13-7-6-10(17)8-12(13)16/h6-9H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyRKGDHQXZLWCUKP-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.45
Rot. Bonds6

About 6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine

6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine (PubChem CID 80864915) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine
PubChem CID80864915
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFN3O/c1-3-5-11-14(18-4-2)19-9-20-15(11)21-13-7-6-10(17)8-12(13)16/h6-9H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyRKGDHQXZLWCUKP-UHFFFAOYSA-N
XLogP4.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
[6-(2-chloro-4-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80930789
[6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917689
N,5-diethyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80865608
6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80866931
4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine
CID 63735554
[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917240
6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80862655
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
[6-(2-chloro-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80917339
6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80866182
6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869041

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine (CID 80864915) is 6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1Oc1ccc(F)cc1Cl.
What is the InChIKey of 6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine?
The InChIKey is RKGDHQXZLWCUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-3-5-11-14(18-4-2)19-9-20-15(11)21-13-7-6-10(17)8-12(13)16/h6-9H,3-5H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine?
6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine has a molecular weight of 309.77 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80864915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).