4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol

C8H12FN3O — CID 115750155

IUPAC4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol
SMILESCC(O)CCNc1ncc(F)cn1
InChIInChI=1S/C8H12FN3O/c1-6(13)2-3-10-8-11-4-7(9)5-12-8/h4-6,13H,2-3H2,1H3,(H,10,11,12)
InChIKeyAMTQYTLOMXEUDZ-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.80
Rot. Bonds4

About 4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol

4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol (PubChem CID 115750155) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol
PubChem CID115750155
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol
SMILESCC(O)CCNc1ncc(F)cn1
InChIInChI=1S/C8H12FN3O/c1-6(13)2-3-10-8-11-4-7(9)5-12-8/h4-6,13H,2-3H2,1H3,(H,10,11,12)
InChIKeyAMTQYTLOMXEUDZ-UHFFFAOYSA-N
XLogP0.80
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine
CID 115749812
(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 131107121
1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol
CID 115749831
(2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol
CID 130918484
5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol
CID 107269196
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
CID 104606339
4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol
CID 130694376
5-fluoro-N-octylpyrimidin-2-amine
CID 115765356
5-[(5-fluoropyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 104606017
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol
CID 103669518

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol?
The IUPAC name of 4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol (CID 115750155) is 4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol is CC(O)CCNc1ncc(F)cn1.
What is the InChIKey of 4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol?
The InChIKey is AMTQYTLOMXEUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-6(13)2-3-10-8-11-4-7(9)5-12-8/h4-6,13H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol?
4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol has a molecular weight of 185.20 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 4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol is sourced from PubChem (CID 115750155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).