4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine

C14H28N6 — CID 80778408

IUPAC4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCCCN(CC)CC)nc(N)n1
InChIInChI=1S/C14H28N6/c1-4-8-16-12-11-13(19-14(15)18-12)17-9-7-10-20(5-2)6-3/h11H,4-10H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyXVLHHRFLBBOPCI-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.02
Rot. Bonds10

About 4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine

4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80778408) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80778408
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCCCN(CC)CC)nc(N)n1
InChIInChI=1S/C14H28N6/c1-4-8-16-12-11-13(19-14(15)18-12)17-9-7-10-20(5-2)6-3/h11H,4-10H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyXVLHHRFLBBOPCI-UHFFFAOYSA-N
XLogP2.02
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80942866
4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939676
4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80770310
4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777022
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80968725
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol
CID 80808361
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine (CID 80778408) is 4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NCCCN(CC)CC)nc(N)n1.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is XVLHHRFLBBOPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-4-8-16-12-11-13(19-14(15)18-12)17-9-7-10-20(5-2)6-3/h11H,4-10H2,1-3H3,(H4,15,16,17,18,19).
What are the key properties of 4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine?
4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 280.42 g/mol, XLogP of 2.02, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80778408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).