6-(difluoromethyl)-2-methoxypyrimidin-4-amine

C6H7F2N3O — CID 105435960

IUPAC6-(difluoromethyl)-2-methoxypyrimidin-4-amine
SMILESCOc1nc(N)cc(C(F)F)n1
InChIInChI=1S/C6H7F2N3O/c1-12-6-10-3(5(7)8)2-4(9)11-6/h2,5H,1H3,(H2,9,10,11)
InChIKeyARXACNNCYZNIAN-UHFFFAOYSA-N
MW175.14 g/mol
LogP1.00
Rot. Bonds2

About 6-(difluoromethyl)-2-methoxypyrimidin-4-amine

6-(difluoromethyl)-2-methoxypyrimidin-4-amine (PubChem CID 105435960) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(difluoromethyl)-2-methoxypyrimidin-4-amine
PubChem CID105435960
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name6-(difluoromethyl)-2-methoxypyrimidin-4-amine
SMILESCOc1nc(N)cc(C(F)F)n1
InChIInChI=1S/C6H7F2N3O/c1-12-6-10-3(5(7)8)2-4(9)11-6/h2,5H,1H3,(H2,9,10,11)
InChIKeyARXACNNCYZNIAN-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-methoxypyrimidin-4-amine?
The IUPAC name of 6-(difluoromethyl)-2-methoxypyrimidin-4-amine (CID 105435960) is 6-(difluoromethyl)-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-(difluoromethyl)-2-methoxypyrimidin-4-amine?
The canonical SMILES for 6-(difluoromethyl)-2-methoxypyrimidin-4-amine is COc1nc(N)cc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-2-methoxypyrimidin-4-amine?
The InChIKey is ARXACNNCYZNIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c1-12-6-10-3(5(7)8)2-4(9)11-6/h2,5H,1H3,(H2,9,10,11).
What are the key properties of 6-(difluoromethyl)-2-methoxypyrimidin-4-amine?
6-(difluoromethyl)-2-methoxypyrimidin-4-amine has a molecular weight of 175.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 105435960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).