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

C8H10Cl2FN3O — CID 137407971

IUPAC3-[(2,5-dichloropyrimidin-4-yl)amino]-4-fluorobutan-1-ol
SMILESOCCC(CF)Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C8H10Cl2FN3O/c9-6-4-12-8(10)14-7(6)13-5(3-11)1-2-15/h4-5,15H,1-3H2,(H,12,13,14)
InChIKeyCLEISLPFCBCCJD-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.92
Rot. Bonds5

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

3-[(2,5-dichloropyrimidin-4-yl)amino]-4-fluorobutan-1-ol (PubChem CID 137407971) 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]-4-fluorobutan-1-ol.

Molecular Properties

Compound Name3-[(2,5-dichloropyrimidin-4-yl)amino]-4-fluorobutan-1-ol
PubChem CID137407971
Molecular FormulaC8H10Cl2FN3O
Molecular Weight254.09 g/mol
Exact Mass253.02
IUPAC Name3-[(2,5-dichloropyrimidin-4-yl)amino]-4-fluorobutan-1-ol
SMILESOCCC(CF)Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C8H10Cl2FN3O/c9-6-4-12-8(10)14-7(6)13-5(3-11)1-2-15/h4-5,15H,1-3H2,(H,12,13,14)
InChIKeyCLEISLPFCBCCJD-UHFFFAOYSA-N
XLogP1.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichloropyrimidin-4-yl)amino]-4-fluorobutan-1-ol?
The IUPAC name of 3-[(2,5-dichloropyrimidin-4-yl)amino]-4-fluorobutan-1-ol (CID 137407971) is 3-[(2,5-dichloropyrimidin-4-yl)amino]-4-fluorobutan-1-ol.
What is the SMILES notation for 3-[(2,5-dichloropyrimidin-4-yl)amino]-4-fluorobutan-1-ol?
The canonical SMILES for 3-[(2,5-dichloropyrimidin-4-yl)amino]-4-fluorobutan-1-ol is OCCC(CF)Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 3-[(2,5-dichloropyrimidin-4-yl)amino]-4-fluorobutan-1-ol?
The InChIKey is CLEISLPFCBCCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2FN3O/c9-6-4-12-8(10)14-7(6)13-5(3-11)1-2-15/h4-5,15H,1-3H2,(H,12,13,14).
What are the key properties of 3-[(2,5-dichloropyrimidin-4-yl)amino]-4-fluorobutan-1-ol?
3-[(2,5-dichloropyrimidin-4-yl)amino]-4-fluorobutan-1-ol has a molecular weight of 254.09 g/mol, XLogP of 1.92, 5 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]-4-fluorobutan-1-ol is sourced from PubChem (CID 137407971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).