6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine

C16H20FN3O — CID 80865732

IUPAC6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C16H20FN3O/c1-4-9-18-15-14(11(2)3)16(20-10-19-15)21-13-7-5-12(17)6-8-13/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyPCLDYIGHOCVMDN-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.35
Rot. Bonds6

About 6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine

6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80865732) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80865732
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2ccc(F)cc2)c1C(C)C
InChIInChI=1S/C16H20FN3O/c1-4-9-18-15-14(11(2)3)16(20-10-19-15)21-13-7-5-12(17)6-8-13/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyPCLDYIGHOCVMDN-UHFFFAOYSA-N
XLogP4.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 107171713
6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 116794391
5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80858384
6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 103286435
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
CID 63734173
6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80866182
6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102989487
N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863706
5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879508
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80864200

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 80865732) is 6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1ncnc(Oc2ccc(F)cc2)c1C(C)C.
What is the InChIKey of 6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is PCLDYIGHOCVMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-9-18-15-14(11(2)3)16(20-10-19-15)21-13-7-5-12(17)6-8-13/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine?
6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80865732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).