6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine

C13H13ClFN3O — CID 82717955

IUPAC6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Cl)c(F)c2)ncn1
InChIInChI=1S/C13H13ClFN3O/c1-2-5-16-12-7-13(18-8-17-12)19-9-3-4-10(14)11(15)6-9/h3-4,6-8H,2,5H2,1H3,(H,16,17,18)
InChIKeyWBFHNEKJKFRFMJ-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.88
Rot. Bonds5

About 6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine

6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine (PubChem CID 82717955) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine
PubChem CID82717955
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Cl)c(F)c2)ncn1
InChIInChI=1S/C13H13ClFN3O/c1-2-5-16-12-7-13(18-8-17-12)19-9-3-4-10(14)11(15)6-9/h3-4,6-8H,2,5H2,1H3,(H,16,17,18)
InChIKeyWBFHNEKJKFRFMJ-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-chloro-3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 82719273
6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine
CID 82718278
6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80874308
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80866351
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80878239
6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine
CID 80874772
6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80863993
6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 80881442
6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 82718288
6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80863903
6-[(2-chlorophenyl)methoxy]-N-propylpyrimidin-4-amine
CID 80858147
6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 82717795

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine (CID 82717955) is 6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccc(Cl)c(F)c2)ncn1.
What is the InChIKey of 6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine?
The InChIKey is WBFHNEKJKFRFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-2-5-16-12-7-13(18-8-17-12)19-9-3-4-10(14)11(15)6-9/h3-4,6-8H,2,5H2,1H3,(H,16,17,18).
What are the key properties of 6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine?
6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine has a molecular weight of 281.72 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 82717955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).