N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine

C15H17F2N3O — CID 66329398

IUPACN-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCCc2cc(F)cc(F)c2)ncn1
InChIInChI=1S/C15H17F2N3O/c1-2-5-21-15-9-14(19-10-20-15)18-4-3-11-6-12(16)8-13(17)7-11/h6-10H,2-5H2,1H3,(H,18,19,20)
InChIKeyQVQXAWJGEIBCEG-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.20
Rot. Bonds7

About N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine

N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine (PubChem CID 66329398) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine
PubChem CID66329398
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCCc2cc(F)cc(F)c2)ncn1
InChIInChI=1S/C15H17F2N3O/c1-2-5-21-15-9-14(19-10-20-15)18-4-3-11-6-12(16)8-13(17)7-11/h6-10H,2-5H2,1H3,(H,18,19,20)
InChIKeyQVQXAWJGEIBCEG-UHFFFAOYSA-N
XLogP3.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66324768
N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine
CID 113305702
N-methyl-2-[(6-propoxypyrimidin-4-yl)amino]ethanesulfonamide
CID 106337569
N-pent-3-ynyl-6-propoxypyrimidin-4-amine
CID 116644597
N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
CID 66328807
N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 62614721
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
CID 66329980
N-(5-methylhexyl)-6-propoxypyrimidin-4-amine
CID 115326257
N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine
CID 106308236
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyrimidin-4-amine
CID 82453669
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
CID 114332543

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine (CID 66329398) is N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine is CCCOc1cc(NCCc2cc(F)cc(F)c2)ncn1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine?
The InChIKey is QVQXAWJGEIBCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-2-5-21-15-9-14(19-10-20-15)18-4-3-11-6-12(16)8-13(17)7-11/h6-10H,2-5H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine?
N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine has a molecular weight of 293.32 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66329398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).