2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol

C8H11F2N3O2 — CID 104858549

IUPAC2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol
SMILESCOc1ccnc(NCC(F)(F)CO)n1
InChIInChI=1S/C8H11F2N3O2/c1-15-6-2-3-11-7(13-6)12-4-8(9,10)5-14/h2-3,14H,4-5H2,1H3,(H,11,12,13)
InChIKeyXJRNSADJZRGZPS-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.52
Rot. Bonds5

About 2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol

2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol (PubChem CID 104858549) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol
PubChem CID104858549
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol
SMILESCOc1ccnc(NCC(F)(F)CO)n1
InChIInChI=1S/C8H11F2N3O2/c1-15-6-2-3-11-7(13-6)12-4-8(9,10)5-14/h2-3,14H,4-5H2,1H3,(H,11,12,13)
InChIKeyXJRNSADJZRGZPS-UHFFFAOYSA-N
XLogP0.52
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol (CID 104858549) is 2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol is COc1ccnc(NCC(F)(F)CO)n1.
What is the InChIKey of 2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is XJRNSADJZRGZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-15-6-2-3-11-7(13-6)12-4-8(9,10)5-14/h2-3,14H,4-5H2,1H3,(H,11,12,13).
What are the key properties of 2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol?
2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 219.19 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(4-methoxypyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 104858549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).