4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C16H20ClN5 — CID 171851124

IUPAC4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(C)cc(Nc2nc(Cl)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C16H20ClN5/c1-11-8-12(2)10-13(9-11)18-15-19-14(17)20-16(21-15)22-6-4-3-5-7-22/h8-10H,3-7H2,1-2H3,(H,18,19,20,21)
InChIKeyIHZGURQBNHYSHC-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.88
Rot. Bonds3

About 4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 171851124) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID171851124
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC Name4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(C)cc(Nc2nc(Cl)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C16H20ClN5/c1-11-8-12(2)10-13(9-11)18-15-19-14(17)20-16(21-15)22-6-4-3-5-7-22/h8-10H,3-7H2,1-2H3,(H,18,19,20,21)
InChIKeyIHZGURQBNHYSHC-UHFFFAOYSA-N
XLogP3.88
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79046218
2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584592
4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869331
2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80834570
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-(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
N-but-2-ynyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156794
4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79778687
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
2-N-(3,5-dimethylphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 24877203
4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62869030

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 171851124) is 4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is Cc1cc(C)cc(Nc2nc(Cl)nc(N3CCCCC3)n2)c1.
What is the InChIKey of 4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is IHZGURQBNHYSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-11-8-12(2)10-13(9-11)18-15-19-14(17)20-16(21-15)22-6-4-3-5-7-22/h8-10H,3-7H2,1-2H3,(H,18,19,20,21).
What are the key properties of 4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 317.82 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dimethylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 171851124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).