2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol

C7H10FN3O — CID 115416509

IUPAC2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol
SMILESCC(CO)Nc1cc(F)ncn1
InChIInChI=1S/C7H10FN3O/c1-5(3-12)11-7-2-6(8)9-4-10-7/h2,4-5,12H,3H2,1H3,(H,9,10,11)
InChIKeyIHILRVKYFOCXDX-UHFFFAOYSA-N
MW171.18 g/mol
LogP0.41
Rot. Bonds3

About 2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol

2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol (PubChem CID 115416509) has the molecular formula C7H10FN3O and a molecular weight of 171.18 g/mol. Its IUPAC name is 2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol
PubChem CID115416509
Molecular FormulaC7H10FN3O
Molecular Weight171.18 g/mol
Exact Mass171.08
IUPAC Name2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol
SMILESCC(CO)Nc1cc(F)ncn1
InChIInChI=1S/C7H10FN3O/c1-5(3-12)11-7-2-6(8)9-4-10-7/h2,4-5,12H,3H2,1H3,(H,9,10,11)
InChIKeyIHILRVKYFOCXDX-UHFFFAOYSA-N
XLogP0.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol (CID 115416509) is 2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol is CC(CO)Nc1cc(F)ncn1.
What is the InChIKey of 2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is IHILRVKYFOCXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-5(3-12)11-7-2-6(8)9-4-10-7/h2,4-5,12H,3H2,1H3,(H,9,10,11).
What are the key properties of 2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol?
2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 171.18 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoropyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 115416509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).