2-(difluoromethoxy)-N-methylpyrimidin-5-amine

C6H7F2N3O — CID 175417383

IUPAC2-(difluoromethoxy)-N-methylpyrimidin-5-amine
SMILESCNc1cnc(OC(F)F)nc1
InChIInChI=1S/C6H7F2N3O/c1-9-4-2-10-6(11-3-4)12-5(7)8/h2-3,5,9H,1H3
InChIKeyQRBJXCWAJNJNJK-UHFFFAOYSA-N
MW175.14 g/mol
LogP1.12
Rot. Bonds3

About 2-(difluoromethoxy)-N-methylpyrimidin-5-amine

2-(difluoromethoxy)-N-methylpyrimidin-5-amine (PubChem CID 175417383) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-methylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-methylpyrimidin-5-amine
PubChem CID175417383
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name2-(difluoromethoxy)-N-methylpyrimidin-5-amine
SMILESCNc1cnc(OC(F)F)nc1
InChIInChI=1S/C6H7F2N3O/c1-9-4-2-10-6(11-3-4)12-5(7)8/h2-3,5,9H,1H3
InChIKeyQRBJXCWAJNJNJK-UHFFFAOYSA-N
XLogP1.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-methylpyrimidin-5-amine?
The IUPAC name of 2-(difluoromethoxy)-N-methylpyrimidin-5-amine (CID 175417383) is 2-(difluoromethoxy)-N-methylpyrimidin-5-amine.
What is the SMILES notation for 2-(difluoromethoxy)-N-methylpyrimidin-5-amine?
The canonical SMILES for 2-(difluoromethoxy)-N-methylpyrimidin-5-amine is CNc1cnc(OC(F)F)nc1.
What is the InChIKey of 2-(difluoromethoxy)-N-methylpyrimidin-5-amine?
The InChIKey is QRBJXCWAJNJNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c1-9-4-2-10-6(11-3-4)12-5(7)8/h2-3,5,9H,1H3.
What are the key properties of 2-(difluoromethoxy)-N-methylpyrimidin-5-amine?
2-(difluoromethoxy)-N-methylpyrimidin-5-amine has a molecular weight of 175.14 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-methylpyrimidin-5-amine is sourced from PubChem (CID 175417383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).