4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

C19H30N8 — CID 117089217

IUPAC4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N(CC)CC)nc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C19H30N8/c1-4-10-21-17-22-18(25(5-2)6-3)24-19(23-17)27-14-12-26(13-15-27)16-9-7-8-11-20-16/h7-9,11H,4-6,10,12-15H2,1-3H3,(H,21,22,23,24)
InChIKeyAWRUNJGGBOUNRZ-UHFFFAOYSA-N
MW370.51 g/mol
LogP2.26
Rot. Bonds8

About 4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 117089217) has the molecular formula C19H30N8 and a molecular weight of 370.51 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID117089217
Molecular FormulaC19H30N8
Molecular Weight370.51 g/mol
Exact Mass370.26
IUPAC Name4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N(CC)CC)nc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C19H30N8/c1-4-10-21-17-22-18(25(5-2)6-3)24-19(23-17)27-14-12-26(13-15-27)16-9-7-8-11-20-16/h7-9,11H,4-6,10,12-15H2,1-3H3,(H,21,22,23,24)
InChIKeyAWRUNJGGBOUNRZ-UHFFFAOYSA-N
XLogP2.26
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 117089791
4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774325
N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112908336
N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957935
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80767336
N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893045
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
4-N-ethyl-4-N-propan-2-yl-2-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772192
4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80840806
N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112951722
N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112887954
N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898903

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (CID 117089217) is 4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is CCCNc1nc(N(CC)CC)nc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of 4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AWRUNJGGBOUNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8/c1-4-10-21-17-22-18(25(5-2)6-3)24-19(23-17)27-14-12-26(13-15-27)16-9-7-8-11-20-16/h7-9,11H,4-6,10,12-15H2,1-3H3,(H,21,22,23,24).
What are the key properties of 4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 370.51 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117089217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).