1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol

C9H12FN3O — CID 115750087

IUPAC1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol
SMILESOC(CNc1ncc(F)cn1)C1CC1
InChIInChI=1S/C9H12FN3O/c10-7-3-11-9(12-4-7)13-5-8(14)6-1-2-6/h3-4,6,8,14H,1-2,5H2,(H,11,12,13)
InChIKeyNONLLEZMLONLQY-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.80
Rot. Bonds4

About 1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol

1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol (PubChem CID 115750087) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol
PubChem CID115750087
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol
SMILESOC(CNc1ncc(F)cn1)C1CC1
InChIInChI=1S/C9H12FN3O/c10-7-3-11-9(12-4-7)13-5-8(14)6-1-2-6/h3-4,6,8,14H,1-2,5H2,(H,11,12,13)
InChIKeyNONLLEZMLONLQY-UHFFFAOYSA-N
XLogP0.80
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol (CID 115750087) is 1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol is OC(CNc1ncc(F)cn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol?
The InChIKey is NONLLEZMLONLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-7-3-11-9(12-4-7)13-5-8(14)6-1-2-6/h3-4,6,8,14H,1-2,5H2,(H,11,12,13).
What are the key properties of 1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol?
1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol has a molecular weight of 197.21 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol is sourced from PubChem (CID 115750087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).