3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol

C8H10Cl2FN3O — CID 137418582

IUPAC3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol
SMILESCC(Nc1nc(Cl)ncc1Cl)C(F)CO
InChIInChI=1S/C8H10Cl2FN3O/c1-4(6(11)3-15)13-7-5(9)2-12-8(10)14-7/h2,4,6,15H,3H2,1H3,(H,12,13,14)
InChIKeyWWSIBFPNYOSCKQ-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.91
Rot. Bonds4

About 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol

3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol (PubChem CID 137418582) has the molecular formula C8H10Cl2FN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol.

Molecular Properties

Compound Name3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol
PubChem CID137418582
Molecular FormulaC8H10Cl2FN3O
Molecular Weight254.09 g/mol
Exact Mass253.02
IUPAC Name3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol
SMILESCC(Nc1nc(Cl)ncc1Cl)C(F)CO
InChIInChI=1S/C8H10Cl2FN3O/c1-4(6(11)3-15)13-7-5(9)2-12-8(10)14-7/h2,4,6,15H,3H2,1H3,(H,12,13,14)
InChIKeyWWSIBFPNYOSCKQ-UHFFFAOYSA-N
XLogP1.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol
CID 1928143
2-[2-[(5-Chloropyrimidin-2-yl)-[1-(hydroxymethyl)propyl]amino]ethylamino]butan-1-ol
CID 469967
2-[(5-Chloropyrimidin-2-yl)amino]-2-methylpropane-1,3-diol
CID 71970958
2-[3-[[5-Chloro-2-[3-(2-hydroxyethoxy)propylamino]pyrimidin-4-yl]amino]propoxy]ethanol
CID 126809366
2-butoxy-5-fluoro-N-propan-2-ylpyrimidin-4-amine
CID 57818435
3-(2-Chloro-5-fluoro-pyrimidin-4-ylamino)-propan-1-ol
CID 57845437
3-[(2-Chloro-5-fluoro-4-pyrimidinyl)(methyl)amino]-1-propanol
CID 57845518
(2R,3R)-3-(2-Chloro-5-trifluoromethylpyrimidin-4-ylamino)butan-2-ol
CID 59683169
3-[[2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 72357339
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 79081159
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol
CID 79081341
(2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79247137

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol?
The IUPAC name of 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol (CID 137418582) is 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol.
What is the SMILES notation for 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol?
The canonical SMILES for 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol is CC(Nc1nc(Cl)ncc1Cl)C(F)CO.
What is the InChIKey of 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol?
The InChIKey is WWSIBFPNYOSCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2FN3O/c1-4(6(11)3-15)13-7-5(9)2-12-8(10)14-7/h2,4,6,15H,3H2,1H3,(H,12,13,14).
What are the key properties of 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol?
3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol has a molecular weight of 254.09 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluorobutan-1-ol is sourced from PubChem (CID 137418582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).