5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine

C14H14BrF2N3O — CID 66295361

IUPAC5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2OC(F)F)nc(N)c1Br
InChIInChI=1S/C14H14BrF2N3O/c1-2-5-9-11(15)12(18)20-13(19-9)8-6-3-4-7-10(8)21-14(16)17/h3-4,6-7,14H,2,5H2,1H3,(H2,18,19,20)
InChIKeyDVRBRYIWPKYGJI-UHFFFAOYSA-N
MW358.19 g/mol
LogP4.04
Rot. Bonds5

About 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine

5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine (PubChem CID 66295361) has the molecular formula C14H14BrF2N3O and a molecular weight of 358.19 g/mol. Its IUPAC name is 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine
PubChem CID66295361
Molecular FormulaC14H14BrF2N3O
Molecular Weight358.19 g/mol
Exact Mass357.03
IUPAC Name5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2OC(F)F)nc(N)c1Br
InChIInChI=1S/C14H14BrF2N3O/c1-2-5-9-11(15)12(18)20-13(19-9)8-6-3-4-7-10(8)21-14(16)17/h3-4,6-7,14H,2,5H2,1H3,(H2,18,19,20)
InChIKeyDVRBRYIWPKYGJI-UHFFFAOYSA-N
XLogP4.04
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine (CID 66295361) is 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccccc2OC(F)F)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine?
The InChIKey is DVRBRYIWPKYGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3O/c1-2-5-9-11(15)12(18)20-13(19-9)8-6-3-4-7-10(8)21-14(16)17/h3-4,6-7,14H,2,5H2,1H3,(H2,18,19,20).
What are the key properties of 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine?
5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine has a molecular weight of 358.19 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66295361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).