5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine

C7H9F2N3O2 — CID 164908279

IUPAC5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1COC(F)F
InChIInChI=1S/C7H9F2N3O2/c1-13-5-4(3-14-6(8)9)2-11-7(10)12-5/h2,6H,3H2,1H3,(H2,10,11,12)
InChIKeyCLWRHWDJFDHIIP-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.81
Rot. Bonds4

About 5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine

5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine (PubChem CID 164908279) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine
PubChem CID164908279
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1COC(F)F
InChIInChI=1S/C7H9F2N3O2/c1-13-5-4(3-14-6(8)9)2-11-7(10)12-5/h2,6H,3H2,1H3,(H2,10,11,12)
InChIKeyCLWRHWDJFDHIIP-UHFFFAOYSA-N
XLogP0.81
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine (CID 164908279) is 5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine is COc1nc(N)ncc1COC(F)F.
What is the InChIKey of 5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine?
The InChIKey is CLWRHWDJFDHIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c1-13-5-4(3-14-6(8)9)2-11-7(10)12-5/h2,6H,3H2,1H3,(H2,10,11,12).
What are the key properties of 5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine?
5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine has a molecular weight of 205.16 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxymethyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 164908279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).