4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine

C11H24N6 — CID 69052138

IUPAC4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine
SMILESCCN(CC)CCCC1(N)C=C(N)NC(N)=N1
InChIInChI=1S/C11H24N6/c1-3-17(4-2)7-5-6-11(14)8-9(12)15-10(13)16-11/h8H,3-7,12,14H2,1-2H3,(H3,13,15,16)
InChIKeySFSCAISHYINYQX-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.52
Rot. Bonds6

About 4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine

4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine (PubChem CID 69052138) has the molecular formula C11H24N6 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine
PubChem CID69052138
Molecular FormulaC11H24N6
Molecular Weight240.35 g/mol
Exact Mass240.21
IUPAC Name4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine
SMILESCCN(CC)CCCC1(N)C=C(N)NC(N)=N1
InChIInChI=1S/C11H24N6/c1-3-17(4-2)7-5-6-11(14)8-9(12)15-10(13)16-11/h8H,3-7,12,14H2,1-2H3,(H3,13,15,16)
InChIKeySFSCAISHYINYQX-UHFFFAOYSA-N
XLogP-0.52
TPSA105.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[3-(diethylamino)propyl]-1H-pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine?
The IUPAC name of 4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine (CID 69052138) is 4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine is CCN(CC)CCCC1(N)C=C(N)NC(N)=N1.
What is the InChIKey of 4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine?
The InChIKey is SFSCAISHYINYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N6/c1-3-17(4-2)7-5-6-11(14)8-9(12)15-10(13)16-11/h8H,3-7,12,14H2,1-2H3,(H3,13,15,16).
What are the key properties of 4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine?
4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine has a molecular weight of 240.35 g/mol, XLogP of -0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine is sourced from PubChem (CID 69052138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).