4-(difluoromethoxy)-6-methylpyrimidin-2-amine

C6H7F2N3O — CID 2817390

IUPAC4-(difluoromethoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(OC(F)F)nc(N)n1
InChIInChI=1S/C6H7F2N3O/c1-3-2-4(12-5(7)8)11-6(9)10-3/h2,5H,1H3,(H2,9,10,11)
InChIKeyVPSDEDHCJRKTQB-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.97
Rot. Bonds2

About 4-(difluoromethoxy)-6-methylpyrimidin-2-amine

4-(difluoromethoxy)-6-methylpyrimidin-2-amine (PubChem CID 2817390) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 4-(difluoromethoxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethoxy)-6-methylpyrimidin-2-amine
PubChem CID2817390
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name4-(difluoromethoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(OC(F)F)nc(N)n1
InChIInChI=1S/C6H7F2N3O/c1-3-2-4(12-5(7)8)11-6(9)10-3/h2,5H,1H3,(H2,9,10,11)
InChIKeyVPSDEDHCJRKTQB-UHFFFAOYSA-N
XLogP0.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(difluoromethoxy)-6-methylpyrimidin-2-amine (CID 2817390) is 4-(difluoromethoxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethoxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethoxy)-6-methylpyrimidin-2-amine is Cc1cc(OC(F)F)nc(N)n1.
What is the InChIKey of 4-(difluoromethoxy)-6-methylpyrimidin-2-amine?
The InChIKey is VPSDEDHCJRKTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c1-3-2-4(12-5(7)8)11-6(9)10-3/h2,5H,1H3,(H2,9,10,11).
What are the key properties of 4-(difluoromethoxy)-6-methylpyrimidin-2-amine?
4-(difluoromethoxy)-6-methylpyrimidin-2-amine has a molecular weight of 175.14 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 2817390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).