5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine

C15H16ClF2N3O — CID 15390131

IUPAC5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine
SMILESCCC(Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H16ClF2N3O/c1-3-12(21-14-13(16)9(2)19-8-20-14)10-4-6-11(7-5-10)22-15(17)18/h4-8,12,15H,3H2,1-2H3,(H,19,20,21)
InChIKeyNEKULYKCZPJMMJ-UHFFFAOYSA-N
MW327.76 g/mol
LogP4.60
Rot. Bonds6

About 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine

5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine (PubChem CID 15390131) has the molecular formula C15H16ClF2N3O and a molecular weight of 327.76 g/mol. Its IUPAC name is 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine
PubChem CID15390131
Molecular FormulaC15H16ClF2N3O
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine
SMILESCCC(Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H16ClF2N3O/c1-3-12(21-14-13(16)9(2)19-8-20-14)10-4-6-11(7-5-10)22-15(17)18/h4-8,12,15H,3H2,1-2H3,(H,19,20,21)
InChIKeyNEKULYKCZPJMMJ-UHFFFAOYSA-N
XLogP4.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine (CID 15390131) is 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine is CCC(Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1.
What is the InChIKey of 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine?
The InChIKey is NEKULYKCZPJMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O/c1-3-12(21-14-13(16)9(2)19-8-20-14)10-4-6-11(7-5-10)22-15(17)18/h4-8,12,15H,3H2,1-2H3,(H,19,20,21).
What are the key properties of 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine?
5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine has a molecular weight of 327.76 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[4-(difluoromethoxy)phenyl]propyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 15390131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).