2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine

C15H26N10 — CID 155298079

IUPAC2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine
SMILESCNCCCn1cc(CNc2nc(N)cc(N3CCNCC3)n2)nn1
InChIInChI=1S/C15H26N10/c1-17-3-2-6-25-11-12(22-23-25)10-19-15-20-13(16)9-14(21-15)24-7-4-18-5-8-24/h9,11,17-18H,2-8,10H2,1H3,(H3,16,19,20,21)
InChIKeyOGQXLOHYQQLTSE-UHFFFAOYSA-N
MW346.44 g/mol
LogP-0.72
Rot. Bonds8

About 2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine

2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine (PubChem CID 155298079) has the molecular formula C15H26N10 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine
PubChem CID155298079
Molecular FormulaC15H26N10
Molecular Weight346.44 g/mol
Exact Mass346.23
IUPAC Name2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine
SMILESCNCCCn1cc(CNc2nc(N)cc(N3CCNCC3)n2)nn1
InChIInChI=1S/C15H26N10/c1-17-3-2-6-25-11-12(22-23-25)10-19-15-20-13(16)9-14(21-15)24-7-4-18-5-8-24/h9,11,17-18H,2-8,10H2,1H3,(H3,16,19,20,21)
InChIKeyOGQXLOHYQQLTSE-UHFFFAOYSA-N
XLogP-0.72
TPSA121.84 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine (CID 155298079) is 2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine is CNCCCn1cc(CNc2nc(N)cc(N3CCNCC3)n2)nn1.
What is the InChIKey of 2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine?
The InChIKey is OGQXLOHYQQLTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N10/c1-17-3-2-6-25-11-12(22-23-25)10-19-15-20-13(16)9-14(21-15)24-7-4-18-5-8-24/h9,11,17-18H,2-8,10H2,1H3,(H3,16,19,20,21).
What are the key properties of 2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine?
2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine has a molecular weight of 346.44 g/mol, XLogP of -0.72, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-[3-(methylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 155298079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).