2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine

C17H34N8 — CID 143143449

IUPAC2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCCCNCC)nc(N2CCN(CC)CC2)n1
InChIInChI=1S/C17H34N8/c1-4-8-19-15-21-16(20-10-7-9-18-5-2)23-17(22-15)25-13-11-24(6-3)12-14-25/h18H,4-14H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyFKHZDPDTPQKTGP-UHFFFAOYSA-N
MW350.52 g/mol
LogP1.25
Rot. Bonds11

About 2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 143143449) has the molecular formula C17H34N8 and a molecular weight of 350.52 g/mol. Its IUPAC name is 2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID143143449
Molecular FormulaC17H34N8
Molecular Weight350.52 g/mol
Exact Mass350.29
IUPAC Name2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCCCNCC)nc(N2CCN(CC)CC2)n1
InChIInChI=1S/C17H34N8/c1-4-8-19-15-21-16(20-10-7-9-18-5-2)23-17(22-15)25-13-11-24(6-3)12-14-25/h18H,4-14H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyFKHZDPDTPQKTGP-UHFFFAOYSA-N
XLogP1.25
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.52
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

22-chloro-4-N,13-N-didodecyl-1,3,5,7,10,12,14,16,19,21,23,25,30,33,36-pentadecazaheptacyclo[23.2.2.27,10.216,19.12,6.111,15.120,24]hexatriaconta-2,4,6(36),11(33),12,14,20,22,24(30)-nonaene-4,13-diamine
CID 101021286
2-N-cyclopropyl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770624
4-butyl-6-piperidin-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106659328
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80767336
N-butyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80931737
4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80790722
2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80751148
2-N-(2,2-dimethylcyclopropyl)-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80794141
5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80761980
1-[[4-morpholin-4-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80773597
4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80765758
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 143143449) is 2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NCCCNCC)nc(N2CCN(CC)CC2)n1.
What is the InChIKey of 2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FKHZDPDTPQKTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N8/c1-4-8-19-15-21-16(20-10-7-9-18-5-2)23-17(22-15)25-13-11-24(6-3)12-14-25/h18H,4-14H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of 2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 350.52 g/mol, XLogP of 1.25, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(ethylamino)propyl]-6-(4-ethylpiperazin-1-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 143143449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).