6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine

C13H12ClFN4O — CID 166545324

IUPAC6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine
SMILESNc1ccc(Oc2ncnc(NC3CC3)c2Cl)c(F)c1
InChIInChI=1S/C13H12ClFN4O/c14-11-12(19-8-2-3-8)17-6-18-13(11)20-10-4-1-7(16)5-9(10)15/h1,4-6,8H,2-3,16H2,(H,17,18,19)
InChIKeyFUMCADZERBDMIM-UHFFFAOYSA-N
MW294.72 g/mol
LogP3.22
Rot. Bonds4

About 6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine

6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine (PubChem CID 166545324) has the molecular formula C13H12ClFN4O and a molecular weight of 294.72 g/mol. Its IUPAC name is 6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine
PubChem CID166545324
Molecular FormulaC13H12ClFN4O
Molecular Weight294.72 g/mol
Exact Mass294.07
IUPAC Name6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine
SMILESNc1ccc(Oc2ncnc(NC3CC3)c2Cl)c(F)c1
InChIInChI=1S/C13H12ClFN4O/c14-11-12(19-8-2-3-8)17-6-18-13(11)20-10-4-1-7(16)5-9(10)15/h1,4-6,8H,2-3,16H2,(H,17,18,19)
InChIKeyFUMCADZERBDMIM-UHFFFAOYSA-N
XLogP3.22
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[5-chloro-6-(cyclopropylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545393
ethane;3-fluoro-4-(5-methylpyrimidin-4-yl)oxyaniline
CID 171509261
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 22546108
N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide
CID 164738458
4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135885
N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide
CID 175725003
4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane
CID 144548495
4-(4-amino-2-fluorophenoxy)-N-[1-(2-fluoroethyl)piperidin-4-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-amine
CID 86615604
3-fluoro-4-[5-(methoxymethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyaniline
CID 59424634
4-cyclohexyloxy-3-fluoroaniline
CID 19627258

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine (CID 166545324) is 6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine is Nc1ccc(Oc2ncnc(NC3CC3)c2Cl)c(F)c1.
What is the InChIKey of 6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine?
The InChIKey is FUMCADZERBDMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O/c14-11-12(19-8-2-3-8)17-6-18-13(11)20-10-4-1-7(16)5-9(10)15/h1,4-6,8H,2-3,16H2,(H,17,18,19).
What are the key properties of 6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine?
6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine has a molecular weight of 294.72 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2-fluorophenoxy)-5-chloro-N-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 166545324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).