N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine

C15H17F2N3O2 — CID 154837636

IUPACN-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine
SMILESCCC(Nc1nccc(OC)n1)c1ccccc1OC(F)F
InChIInChI=1S/C15H17F2N3O2/c1-3-11(19-15-18-9-8-13(20-15)21-2)10-6-4-5-7-12(10)22-14(16)17/h4-9,11,14H,3H2,1-2H3,(H,18,19,20)
InChIKeyJMFVBYCKOSXFHX-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.65
Rot. Bonds7

About N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine

N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine (PubChem CID 154837636) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine
PubChem CID154837636
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine
SMILESCCC(Nc1nccc(OC)n1)c1ccccc1OC(F)F
InChIInChI=1S/C15H17F2N3O2/c1-3-11(19-15-18-9-8-13(20-15)21-2)10-6-4-5-7-12(10)22-14(16)17/h4-9,11,14H,3H2,1-2H3,(H,18,19,20)
InChIKeyJMFVBYCKOSXFHX-UHFFFAOYSA-N
XLogP3.65
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
CID 26006023
4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine
CID 112637466
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
N-(1-chlorobutan-2-yl)-4-methoxypyrimidin-2-amine
CID 65030298
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide
CID 95781613
N-hex-5-yn-3-yl-4-methoxypyrimidin-2-amine
CID 115657840
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide
CID 95775445
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015291

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine (CID 154837636) is N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine is CCC(Nc1nccc(OC)n1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine?
The InChIKey is JMFVBYCKOSXFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-3-11(19-15-18-9-8-13(20-15)21-2)10-6-4-5-7-12(10)22-14(16)17/h4-9,11,14H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine?
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine has a molecular weight of 309.32 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 154837636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).