5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine

C9H13F2N3O2 — CID 164908189

IUPAC5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CC(F)CF
InChIInChI=1S/C9H13F2N3O2/c1-15-7-6(3-5(11)4-10)8(16-2)14-9(12)13-7/h5H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyQWTMDKCGZDMCCZ-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.93
Rot. Bonds5

About 5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine

5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine (PubChem CID 164908189) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine
PubChem CID164908189
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CC(F)CF
InChIInChI=1S/C9H13F2N3O2/c1-15-7-6(3-5(11)4-10)8(16-2)14-9(12)13-7/h5H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyQWTMDKCGZDMCCZ-UHFFFAOYSA-N
XLogP0.93
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of 5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine (CID 164908189) is 5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for 5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for 5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine is COc1nc(N)nc(OC)c1CC(F)CF.
What is the InChIKey of 5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is QWTMDKCGZDMCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-15-7-6(3-5(11)4-10)8(16-2)14-9(12)13-7/h5H,3-4H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine?
5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 233.22 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 164908189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).