4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine

C7H9F2N3O2 — CID 164907843

IUPAC4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine
SMILESCOc1nc(N)nc(OC(F)F)c1C
InChIInChI=1S/C7H9F2N3O2/c1-3-4(13-2)11-7(10)12-5(3)14-6(8)9/h6H,1-2H3,(H2,10,11,12)
InChIKeyYHUJCSSLZJYKJO-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.98
Rot. Bonds3

About 4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine

4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine (PubChem CID 164907843) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine
PubChem CID164907843
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine
SMILESCOc1nc(N)nc(OC(F)F)c1C
InChIInChI=1S/C7H9F2N3O2/c1-3-4(13-2)11-7(10)12-5(3)14-6(8)9/h6H,1-2H3,(H2,10,11,12)
InChIKeyYHUJCSSLZJYKJO-UHFFFAOYSA-N
XLogP0.98
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine (CID 164907843) is 4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine is COc1nc(N)nc(OC(F)F)c1C.
What is the InChIKey of 4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine?
The InChIKey is YHUJCSSLZJYKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c1-3-4(13-2)11-7(10)12-5(3)14-6(8)9/h6H,1-2H3,(H2,10,11,12).
What are the key properties of 4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine?
4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine has a molecular weight of 205.16 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-amine is sourced from PubChem (CID 164907843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).