3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol

C9H14FN3O — CID 131160291

IUPAC3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1nc(C)c(F)c(NCCCO)n1
InChIInChI=1S/C9H14FN3O/c1-6-8(10)9(11-4-3-5-14)13-7(2)12-6/h14H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyCEQWSCWLRXVEAU-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.03
Rot. Bonds4

About 3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol

3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 131160291) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID131160291
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1nc(C)c(F)c(NCCCO)n1
InChIInChI=1S/C9H14FN3O/c1-6-8(10)9(11-4-3-5-14)13-7(2)12-6/h14H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyCEQWSCWLRXVEAU-UHFFFAOYSA-N
XLogP1.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol (CID 131160291) is 3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol is Cc1nc(C)c(F)c(NCCCO)n1.
What is the InChIKey of 3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is CEQWSCWLRXVEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-6-8(10)9(11-4-3-5-14)13-7(2)12-6/h14H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol?
3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 199.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 131160291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).