2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol

C9H14FN3O — CID 130707313

IUPAC2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1nc(C)c(F)c(NC(C)CO)n1
InChIInChI=1S/C9H14FN3O/c1-5(4-14)11-9-8(10)6(2)12-7(3)13-9/h5,14H,4H2,1-3H3,(H,11,12,13)
InChIKeyLHKWWZHBXBWXDZ-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.03
Rot. Bonds3

About 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol

2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 130707313) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID130707313
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1nc(C)c(F)c(NC(C)CO)n1
InChIInChI=1S/C9H14FN3O/c1-5(4-14)11-9-8(10)6(2)12-7(3)13-9/h5,14H,4H2,1-3H3,(H,11,12,13)
InChIKeyLHKWWZHBXBWXDZ-UHFFFAOYSA-N
XLogP1.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol (CID 130707313) is 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol is Cc1nc(C)c(F)c(NC(C)CO)n1.
What is the InChIKey of 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is LHKWWZHBXBWXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-5(4-14)11-9-8(10)6(2)12-7(3)13-9/h5,14H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol?
2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 199.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 130707313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).