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

C7H10FN3O — CID 130680062

IUPAC(2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ncc(F)cn1
InChIInChI=1S/C7H10FN3O/c1-5(4-12)11-7-9-2-6(8)3-10-7/h2-3,5,12H,4H2,1H3,(H,9,10,11)/t5-/m0/s1
InChIKeyCARMUBHCZRPODF-YFKPBYRVSA-N
MW171.18 g/mol
LogP0.41
Rot. Bonds3

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

(2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol (PubChem CID 130680062) has the molecular formula C7H10FN3O and a molecular weight of 171.18 g/mol. Its IUPAC name is (2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol
PubChem CID130680062
Molecular FormulaC7H10FN3O
Molecular Weight171.18 g/mol
Exact Mass171.08
IUPAC Name(2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ncc(F)cn1
InChIInChI=1S/C7H10FN3O/c1-5(4-12)11-7-9-2-6(8)3-10-7/h2-3,5,12H,4H2,1H3,(H,9,10,11)/t5-/m0/s1
InChIKeyCARMUBHCZRPODF-YFKPBYRVSA-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

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Related Compounds

2-(Pyrimidin-2-ylamino)ethanol
CID 572714
(2S)-2-[(5-chloropyrimidin-2-yl)-methylamino]propan-1-ol
CID 97329547
5-fluoro-N-(oxan-4-yl)pyrimidin-2-amine
CID 115749966
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol
CID 1928143
N-ethyl-5-fluoropyrimidin-2-amine
CID 53385549
(2R)-2-(pyrimidin-2-ylamino)butan-1-ol
CID 57328192
5-Hydroxyisaxonine
CID 173520
2-[(5-Fluoro-2-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 3285987
(2S)-2-[(2-chloropyrimidin-4-yl)amino]propan-1-ol
CID 94405683
2-Amino-3-(5-methylpyrimidin-2-yl)propan-1-ol
CID 138991302
Pyrimidylaminoethanol
CID 21557443
2-Methyl4-amino-5-oxymethylpyrimidin
CID 21615175

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol (CID 130680062) is (2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol is C[C@@H](CO)Nc1ncc(F)cn1.
What is the InChIKey of (2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is CARMUBHCZRPODF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-5(4-12)11-7-9-2-6(8)3-10-7/h2-3,5,12H,4H2,1H3,(H,9,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol?
(2S)-2-[(5-fluoropyrimidin-2-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 (2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 130680062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).