6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine

C13H15ClFN5 — CID 80824246

IUPAC6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NC(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H15ClFN5/c1-8(7-9-3-5-10(15)6-4-9)17-13-19-11(14)18-12(16-2)20-13/h3-6,8H,7H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyZTEAUFXIQIODFR-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.75
Rot. Bonds5

About 6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80824246) has the molecular formula C13H15ClFN5 and a molecular weight of 295.75 g/mol. Its IUPAC name is 6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80824246
Molecular FormulaC13H15ClFN5
Molecular Weight295.75 g/mol
Exact Mass295.10
IUPAC Name6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NC(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H15ClFN5/c1-8(7-9-3-5-10(15)6-4-9)17-13-19-11(14)18-12(16-2)20-13/h3-6,8H,7H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyZTEAUFXIQIODFR-UHFFFAOYSA-N
XLogP2.75
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine
CID 102758087
N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethoxypyrimidin-2-amine
CID 115355112
2-N-[1-(4-fluorophenyl)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 112746204
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 62995363
5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine
CID 80913978
2-[1-(4-fluorophenyl)propan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553885
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
N-[1-(4-fluorophenyl)propan-2-yl]quinolin-2-amine
CID 63541693
2-N-ethyl-6-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-2,6-diamine
CID 80824062
2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine
CID 114830017
N-[1-(4-fluorophenyl)propan-2-yl]pyridazin-3-amine
CID 62995551
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804623

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80824246) is 6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NC(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of 6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZTEAUFXIQIODFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5/c1-8(7-9-3-5-10(15)6-4-9)17-13-19-11(14)18-12(16-2)20-13/h3-6,8H,7H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 295.75 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[1-(4-fluorophenyl)propan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80824246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).