3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol

C10H15ClFN3O — CID 79075697

IUPAC3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(Cl)ncc1F
InChIInChI=1S/C10H15ClFN3O/c1-3-10(16,4-2)6-14-8-7(12)5-13-9(11)15-8/h5,16H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyZENKZQOJWBASBB-UHFFFAOYSA-N
MW247.70 g/mol
LogP2.23
Rot. Bonds5

About 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol

3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol (PubChem CID 79075697) has the molecular formula C10H15ClFN3O and a molecular weight of 247.70 g/mol. Its IUPAC name is 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol
PubChem CID79075697
Molecular FormulaC10H15ClFN3O
Molecular Weight247.70 g/mol
Exact Mass247.09
IUPAC Name3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(Cl)ncc1F
InChIInChI=1S/C10H15ClFN3O/c1-3-10(16,4-2)6-14-8-7(12)5-13-9(11)15-8/h5,16H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyZENKZQOJWBASBB-UHFFFAOYSA-N
XLogP2.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol (CID 79075697) is 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1nc(Cl)ncc1F.
What is the InChIKey of 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is ZENKZQOJWBASBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3O/c1-3-10(16,4-2)6-14-8-7(12)5-13-9(11)15-8/h5,16H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol?
3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 247.70 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 79075697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).