1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol

C7H10FN3O — CID 174681324

IUPAC1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol
SMILESCNc1ncc(CC(O)F)cn1
InChIInChI=1S/C7H10FN3O/c1-9-7-10-3-5(4-11-7)2-6(8)12/h3-4,6,12H,2H2,1H3,(H,9,10,11)
InChIKeyNBLXXGSNQAYBHM-UHFFFAOYSA-N
MW171.18 g/mol
LogP0.35
Rot. Bonds3

About 1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol

1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol (PubChem CID 174681324) has the molecular formula C7H10FN3O and a molecular weight of 171.18 g/mol. Its IUPAC name is 1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol
PubChem CID174681324
Molecular FormulaC7H10FN3O
Molecular Weight171.18 g/mol
Exact Mass171.08
IUPAC Name1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol
SMILESCNc1ncc(CC(O)F)cn1
InChIInChI=1S/C7H10FN3O/c1-9-7-10-3-5(4-11-7)2-6(8)12/h3-4,6,12H,2H2,1H3,(H,9,10,11)
InChIKeyNBLXXGSNQAYBHM-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol?
The IUPAC name of 1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol (CID 174681324) is 1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol is CNc1ncc(CC(O)F)cn1.
What is the InChIKey of 1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol?
The InChIKey is NBLXXGSNQAYBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-9-7-10-3-5(4-11-7)2-6(8)12/h3-4,6,12H,2H2,1H3,(H,9,10,11).
What are the key properties of 1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol?
1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol has a molecular weight of 171.18 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-(methylamino)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 174681324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).