2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol

C7H9ClFN3O — CID 79081341

IUPAC2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol
SMILESCC(CO)Nc1nc(Cl)ncc1F
InChIInChI=1S/C7H9ClFN3O/c1-4(3-13)11-6-5(9)2-10-7(8)12-6/h2,4,13H,3H2,1H3,(H,10,11,12)
InChIKeyWZNBVKBDLMXPJF-UHFFFAOYSA-N
MW205.62 g/mol
LogP1.06
Rot. Bonds3

About 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol

2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol (PubChem CID 79081341) has the molecular formula C7H9ClFN3O and a molecular weight of 205.62 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol
PubChem CID79081341
Molecular FormulaC7H9ClFN3O
Molecular Weight205.62 g/mol
Exact Mass205.04
IUPAC Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol
SMILESCC(CO)Nc1nc(Cl)ncc1F
InChIInChI=1S/C7H9ClFN3O/c1-4(3-13)11-6-5(9)2-10-7(8)12-6/h2,4,13H,3H2,1H3,(H,10,11,12)
InChIKeyWZNBVKBDLMXPJF-UHFFFAOYSA-N
XLogP1.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol (CID 79081341) is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol is CC(CO)Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is WZNBVKBDLMXPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFN3O/c1-4(3-13)11-6-5(9)2-10-7(8)12-6/h2,4,13H,3H2,1H3,(H,10,11,12).
What are the key properties of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol?
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 205.62 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 79081341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).