6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine

C10H15F2N3O — CID 82008868

IUPAC6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1OCC(F)F
InChIInChI=1S/C10H15F2N3O/c1-3-4-7-9(13-2)14-6-15-10(7)16-5-8(11)12/h6,8H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyCFCXROZEMBYIAU-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.11
Rot. Bonds6

About 6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine

6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 82008868) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine
PubChem CID82008868
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1OCC(F)F
InChIInChI=1S/C10H15F2N3O/c1-3-4-7-9(13-2)14-6-15-10(7)16-5-8(11)12/h6,8H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyCFCXROZEMBYIAU-UHFFFAOYSA-N
XLogP2.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine (CID 82008868) is 6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(NC)ncnc1OCC(F)F.
What is the InChIKey of 6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is CFCXROZEMBYIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-3-4-7-9(13-2)14-6-15-10(7)16-5-8(11)12/h6,8H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine?
6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 231.25 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 82008868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).