4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C14H15ClFN5 — CID 79046218

IUPAC4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(F)cc(Nc2nc(Cl)nc(N3CCCC3)n2)c1
InChIInChI=1S/C14H15ClFN5/c1-9-6-10(16)8-11(7-9)17-13-18-12(15)19-14(20-13)21-4-2-3-5-21/h6-8H,2-5H2,1H3,(H,17,18,19,20)
InChIKeyDDDWHIPMXIEBEK-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.32
Rot. Bonds3

About 4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 79046218) has the molecular formula C14H15ClFN5 and a molecular weight of 307.76 g/mol. Its IUPAC name is 4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID79046218
Molecular FormulaC14H15ClFN5
Molecular Weight307.76 g/mol
Exact Mass307.10
IUPAC Name4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(F)cc(Nc2nc(Cl)nc(N3CCCC3)n2)c1
InChIInChI=1S/C14H15ClFN5/c1-9-6-10(16)8-11(7-9)17-13-18-12(15)19-14(20-13)21-4-2-3-5-21/h6-8H,2-5H2,1H3,(H,17,18,19,20)
InChIKeyDDDWHIPMXIEBEK-UHFFFAOYSA-N
XLogP3.32
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 171851124
2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80834570
2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584592
4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine
CID 79050159
2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 35024765
4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869331
4-chloro-N-(2,6-dibromophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 107602258
4-chloro-N-(3-iodophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870369
2-N-(4-chlorophenyl)-4-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584715
4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 23381719
4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79778687
4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62863628

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 79046218) is 4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Cc1cc(F)cc(Nc2nc(Cl)nc(N3CCCC3)n2)c1.
What is the InChIKey of 4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is DDDWHIPMXIEBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN5/c1-9-6-10(16)8-11(7-9)17-13-18-12(15)19-14(20-13)21-4-2-3-5-21/h6-8H,2-5H2,1H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 307.76 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79046218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).