4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine

C15H20N6 — CID 80812289

IUPAC4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine
SMILESNc1cc(Nc2ccc(N3CCCCC3)cc2)nc(N)n1
InChIInChI=1S/C15H20N6/c16-13-10-14(20-15(17)19-13)18-11-4-6-12(7-5-11)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H5,16,17,18,19,20)
InChIKeyJQMZSDMGPZBMSX-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.37
Rot. Bonds3

About 4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine

4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine (PubChem CID 80812289) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine
PubChem CID80812289
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine
SMILESNc1cc(Nc2ccc(N3CCCCC3)cc2)nc(N)n1
InChIInChI=1S/C15H20N6/c16-13-10-14(20-15(17)19-13)18-11-4-6-12(7-5-11)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H5,16,17,18,19,20)
InChIKeyJQMZSDMGPZBMSX-UHFFFAOYSA-N
XLogP2.37
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(4-piperidin-1-ylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909558
2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
CID 63179146
6-hydrazinyl-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80907284
6-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 62923074
2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 116796160
2-hydrazinyl-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80906686
4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine
CID 80763581
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
CID 117089780
4-[[2-methyl-6-(4-pyrrolidin-1-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193334
2-methyl-6-N-(4-pyrrolidin-1-ylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112878918
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine (CID 80812289) is 4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine is Nc1cc(Nc2ccc(N3CCCCC3)cc2)nc(N)n1.
What is the InChIKey of 4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine?
The InChIKey is JQMZSDMGPZBMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c16-13-10-14(20-15(17)19-13)18-11-4-6-12(7-5-11)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H5,16,17,18,19,20).
What are the key properties of 4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine?
4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 284.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80812289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).