4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine

C13H26N6 — CID 102998829

IUPAC4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(CC)CCCN(C)C)nc(N)n1
InChIInChI=1S/C13H26N6/c1-5-15-11-10-12(17-13(14)16-11)19(6-2)9-7-8-18(3)4/h10H,5-9H2,1-4H3,(H3,14,15,16,17)
InChIKeyRJRYGBSCODZCDF-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.27
Rot. Bonds8

About 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine

4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine (PubChem CID 102998829) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine
PubChem CID102998829
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(CC)CCCN(C)C)nc(N)n1
InChIInChI=1S/C13H26N6/c1-5-15-11-10-12(17-13(14)16-11)19(6-2)9-7-8-18(3)4/h10H,5-9H2,1-4H3,(H3,14,15,16,17)
InChIKeyRJRYGBSCODZCDF-UHFFFAOYSA-N
XLogP1.27
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 102998801
N'-ethyl-N'-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N-dimethylpropane-1,3-diamine
CID 102999011
6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
CID 102998802
4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 102998975
4-N-ethyl-6-hydrazinyl-4-N-propylpyrimidine-2,4-diamine
CID 80944737
6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 80823224
4-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 102998809
6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
CID 80847003
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80799090
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495264
4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4,6-triamine
CID 102998945

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine (CID 102998829) is 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine is CCNc1cc(N(CC)CCCN(C)C)nc(N)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine?
The InChIKey is RJRYGBSCODZCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-5-15-11-10-12(17-13(14)16-11)19(6-2)9-7-8-18(3)4/h10H,5-9H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine?
4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine has a molecular weight of 266.39 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 102998829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).