4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine

C13H25N5 — CID 80777327

IUPAC4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCN(CC)CCCNc1ncnc(NC)c1C
InChIInChI=1S/C13H25N5/c1-5-18(6-2)9-7-8-15-13-11(3)12(14-4)16-10-17-13/h10H,5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyXTHBDFOKPFFGIN-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.97
Rot. Bonds8

About 4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80777327) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80777327
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCN(CC)CCCNc1ncnc(NC)c1C
InChIInChI=1S/C13H25N5/c1-5-18(6-2)9-7-8-15-13-11(3)12(14-4)16-10-17-13/h10H,5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyXTHBDFOKPFFGIN-UHFFFAOYSA-N
XLogP1.97
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80833362
6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786
N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 63734759
N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 55229294
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 110430335
6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042300
4-N-[1-(diethylamino)propan-2-yl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80817047
6-[2-(diethylamino)ethoxy]-N,5-dimethylpyrimidin-4-amine
CID 80871416
N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043625
6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80790674
N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 66342316

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80777327) is 4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine is CCN(CC)CCCNc1ncnc(NC)c1C.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is XTHBDFOKPFFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-5-18(6-2)9-7-8-15-13-11(3)12(14-4)16-10-17-13/h10H,5-9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80777327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).