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

C7H8Cl2FN3O — CID 137407937

IUPAC3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluoropropan-1-ol
SMILESOCC(F)CNc1nc(Cl)ncc1Cl
InChIInChI=1S/C7H8Cl2FN3O/c8-5-2-12-7(9)13-6(5)11-1-4(10)3-14/h2,4,14H,1,3H2,(H,11,12,13)
InChIKeyYXNXVGQJJMGLIG-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.53
Rot. Bonds4

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

3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluoropropan-1-ol (PubChem CID 137407937) has the molecular formula C7H8Cl2FN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluoropropan-1-ol.

Molecular Properties

Compound Name3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluoropropan-1-ol
PubChem CID137407937
Molecular FormulaC7H8Cl2FN3O
Molecular Weight240.06 g/mol
Exact Mass239.00
IUPAC Name3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluoropropan-1-ol
SMILESOCC(F)CNc1nc(Cl)ncc1Cl
InChIInChI=1S/C7H8Cl2FN3O/c8-5-2-12-7(9)13-6(5)11-1-4(10)3-14/h2,4,14H,1,3H2,(H,11,12,13)
InChIKeyYXNXVGQJJMGLIG-UHFFFAOYSA-N
XLogP1.53
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.53
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]-2-fluoropropan-1-ol?
The IUPAC name of 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluoropropan-1-ol (CID 137407937) is 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluoropropan-1-ol.
What is the SMILES notation for 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluoropropan-1-ol?
The canonical SMILES for 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluoropropan-1-ol is OCC(F)CNc1nc(Cl)ncc1Cl.
What is the InChIKey of 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluoropropan-1-ol?
The InChIKey is YXNXVGQJJMGLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2FN3O/c8-5-2-12-7(9)13-6(5)11-1-4(10)3-14/h2,4,14H,1,3H2,(H,11,12,13).
What are the key properties of 3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluoropropan-1-ol?
3-[(2,5-dichloropyrimidin-4-yl)amino]-2-fluoropropan-1-ol has a molecular weight of 240.06 g/mol, XLogP of 1.53, 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-fluoropropan-1-ol is sourced from PubChem (CID 137407937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).