2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol

C11H11ClFN5O — CID 155174421

IUPAC2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(F)ncc1Nc1ncnc(Cl)n1
InChIInChI=1S/C11H11ClFN5O/c1-11(2,19)6-3-8(13)14-4-7(6)17-10-16-5-15-9(12)18-10/h3-5,19H,1-2H3,(H,15,16,17,18)
InChIKeyOBVVNRKDDWUZIX-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.03
Rot. Bonds3

About 2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol

2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol (PubChem CID 155174421) has the molecular formula C11H11ClFN5O and a molecular weight of 283.69 g/mol. Its IUPAC name is 2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol
PubChem CID155174421
Molecular FormulaC11H11ClFN5O
Molecular Weight283.69 g/mol
Exact Mass283.06
IUPAC Name2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(F)ncc1Nc1ncnc(Cl)n1
InChIInChI=1S/C11H11ClFN5O/c1-11(2,19)6-3-8(13)14-4-7(6)17-10-16-5-15-9(12)18-10/h3-5,19H,1-2H3,(H,15,16,17,18)
InChIKeyOBVVNRKDDWUZIX-UHFFFAOYSA-N
XLogP2.03
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol with MolForge

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Related Compounds

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[[6-fluoro-4-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 139377726
4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine
CID 172686201
[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol
CID 123825024
2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol
CID 163441295
5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid
CID 57022345
4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine
CID 118147702
4-tert-butyl-5-chloro-2-fluoropyridine
CID 59233319
1-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethane-1,1-diol
CID 57148533
2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine
CID 88633672
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol
CID 172590006
4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine
CID 87237610

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol (CID 155174421) is 2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol is CC(C)(O)c1cc(F)ncc1Nc1ncnc(Cl)n1.
What is the InChIKey of 2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol?
The InChIKey is OBVVNRKDDWUZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN5O/c1-11(2,19)6-3-8(13)14-4-7(6)17-10-16-5-15-9(12)18-10/h3-5,19H,1-2H3,(H,15,16,17,18).
What are the key properties of 2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol?
2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol has a molecular weight of 283.69 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 155174421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).