N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine

C13H24N4 — CID 504351

IUPACN-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C)cc(C)n1
InChIInChI=1S/C13H24N4/c1-5-17(6-2)9-7-8-14-13-15-11(3)10-12(4)16-13/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyKKBYMIZQJQEDOF-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.24
Rot. Bonds7

About N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine

N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 504351) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID504351
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C)cc(C)n1
InChIInChI=1S/C13H24N4/c1-5-17(6-2)9-7-8-14-13-15-11(3)10-12(4)16-13/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyKKBYMIZQJQEDOF-UHFFFAOYSA-N
XLogP2.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777022
N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine
CID 46938137
N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796560
4-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80777282
4-N-(4-chlorophenyl)-2-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 158895162
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112913006
2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790816
4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408
4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939676
N-(2-butoxyethyl)-4,6-dimethylpyrimidin-2-amine
CID 61175879
N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine
CID 102536542
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine (CID 504351) is N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1nc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is KKBYMIZQJQEDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-17(6-2)9-7-8-14-13-15-11(3)10-12(4)16-13/h10H,5-9H2,1-4H3,(H,14,15,16).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine?
N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 504351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).