4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine

C15H17F2N5 — CID 141350791

IUPAC4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(Nc2ncnc(N3CCC(F)(F)CC3)n2)c1
InChIInChI=1S/C15H17F2N5/c1-11-3-2-4-12(9-11)20-13-18-10-19-14(21-13)22-7-5-15(16,17)6-8-22/h2-4,9-10H,5-8H2,1H3,(H,18,19,20,21)
InChIKeySVEWZOCSZGQLII-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.16
Rot. Bonds3

About 4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine

4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 141350791) has the molecular formula C15H17F2N5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID141350791
Molecular FormulaC15H17F2N5
Molecular Weight305.33 g/mol
Exact Mass305.15
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(Nc2ncnc(N3CCC(F)(F)CC3)n2)c1
InChIInChI=1S/C15H17F2N5/c1-11-3-2-4-12(9-11)20-13-18-10-19-14(21-13)22-7-5-15(16,17)6-8-22/h2-4,9-10H,5-8H2,1H3,(H,18,19,20,21)
InChIKeySVEWZOCSZGQLII-UHFFFAOYSA-N
XLogP3.16
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 141350801
4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 71095075
N-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45139121
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
N-[3-[[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68522714
N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide
CID 127053857
N-[3-[[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 90946782
N-[3-[[4-[4-(3-hydroxypropyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68567236
ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate
CID 68565223
2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 35024765
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362973

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine (CID 141350791) is 4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine is Cc1cccc(Nc2ncnc(N3CCC(F)(F)CC3)n2)c1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is SVEWZOCSZGQLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5/c1-11-3-2-4-12(9-11)20-13-18-10-19-14(21-13)22-7-5-15(16,17)6-8-22/h2-4,9-10H,5-8H2,1H3,(H,18,19,20,21).
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 305.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-N-(3-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 141350791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).