6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine

C14H21N5 — CID 133472744

IUPAC6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine
SMILESCCc1cc(N(C)CCCn2ccnc2)nc(C)n1
InChIInChI=1S/C14H21N5/c1-4-13-10-14(17-12(2)16-13)18(3)7-5-8-19-9-6-15-11-19/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyLLWKUWCNEFKVHL-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.07
Rot. Bonds6

About 6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine

6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine (PubChem CID 133472744) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine
PubChem CID133472744
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine
SMILESCCc1cc(N(C)CCCn2ccnc2)nc(C)n1
InChIInChI=1S/C14H21N5/c1-4-13-10-14(17-12(2)16-13)18(3)7-5-8-19-9-6-15-11-19/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyLLWKUWCNEFKVHL-UHFFFAOYSA-N
XLogP2.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
CID 133376553
3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine
CID 99841114
6-ethyl-N,2-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
CID 133460950
3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile
CID 133376519
N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376584
1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
CID 62334128
N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
CID 80679358
2-chloro-4-[3-imidazol-1-ylpropyl(methyl)amino]benzonitrile
CID 133376620
4-chloro-2-N-(3-imidazol-1-ylpropyl)-2-N-methylbenzene-1,2-diamine
CID 107466060
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376570
4-ethyl-N-(3-imidazol-1-ylpropyl)-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
CID 95808195

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine (CID 133472744) is 6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine is CCc1cc(N(C)CCCn2ccnc2)nc(C)n1.
What is the InChIKey of 6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is LLWKUWCNEFKVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-13-10-14(17-12(2)16-13)18(3)7-5-8-19-9-6-15-11-19/h6,9-11H,4-5,7-8H2,1-3H3.
What are the key properties of 6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine?
6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 133472744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).