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

C6H7F2N3O2 — CID 22909978

IUPAC6-(difluoromethoxy)-2-methoxypyrimidin-4-amine
SMILESCOc1nc(N)cc(OC(F)F)n1
InChIInChI=1S/C6H7F2N3O2/c1-12-6-10-3(9)2-4(11-6)13-5(7)8/h2,5H,1H3,(H2,9,10,11)
InChIKeyNTTFXIKCORPWPM-UHFFFAOYSA-N
MW191.14 g/mol
LogP0.67
Rot. Bonds3

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

6-(difluoromethoxy)-2-methoxypyrimidin-4-amine (PubChem CID 22909978) has the molecular formula C6H7F2N3O2 and a molecular weight of 191.14 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-methoxypyrimidin-4-amine
PubChem CID22909978
Molecular FormulaC6H7F2N3O2
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name6-(difluoromethoxy)-2-methoxypyrimidin-4-amine
SMILESCOc1nc(N)cc(OC(F)F)n1
InChIInChI=1S/C6H7F2N3O2/c1-12-6-10-3(9)2-4(11-6)13-5(7)8/h2,5H,1H3,(H2,9,10,11)
InChIKeyNTTFXIKCORPWPM-UHFFFAOYSA-N
XLogP0.67
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-methoxypyrimidin-4-amine?
The IUPAC name of 6-(difluoromethoxy)-2-methoxypyrimidin-4-amine (CID 22909978) is 6-(difluoromethoxy)-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-(difluoromethoxy)-2-methoxypyrimidin-4-amine?
The canonical SMILES for 6-(difluoromethoxy)-2-methoxypyrimidin-4-amine is COc1nc(N)cc(OC(F)F)n1.
What is the InChIKey of 6-(difluoromethoxy)-2-methoxypyrimidin-4-amine?
The InChIKey is NTTFXIKCORPWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2/c1-12-6-10-3(9)2-4(11-6)13-5(7)8/h2,5H,1H3,(H2,9,10,11).
What are the key properties of 6-(difluoromethoxy)-2-methoxypyrimidin-4-amine?
6-(difluoromethoxy)-2-methoxypyrimidin-4-amine has a molecular weight of 191.14 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 22909978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).