(E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine

C16H27N3 — CID 10682857

IUPAC(E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine
SMILESCCc1nc(/C=C/N(CC)CC)c(CC)c(CC)n1
InChIInChI=1S/C16H27N3/c1-6-13-14(7-2)17-16(8-3)18-15(13)11-12-19(9-4)10-5/h11-12H,6-10H2,1-5H3/b12-11+
InChIKeyZNHQBASJSXQYJR-VAWYXSNFSA-N
MW261.41 g/mol
LogP3.48
Rot. Bonds7

About (E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine

(E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine (PubChem CID 10682857) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine.

Molecular Properties

Compound Name(E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine
PubChem CID10682857
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine
SMILESCCc1nc(/C=C/N(CC)CC)c(CC)c(CC)n1
InChIInChI=1S/C16H27N3/c1-6-13-14(7-2)17-16(8-3)18-15(13)11-12-19(9-4)10-5/h11-12H,6-10H2,1-5H3/b12-11+
InChIKeyZNHQBASJSXQYJR-VAWYXSNFSA-N
XLogP3.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
4-Ethyl-2,5,6-trimethylpyrimidine
CID 14199147
1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane
CID 21138108
1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine
CID 67818284
1-[4-tert-butyl-5-(3-fluoropropyl)-6-methylpyrimidin-2-yl]-N,N-dimethylmethanamine
CID 89934269
5-Ethenyl-4-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 89938654
1-[4-ethyl-5-(3-fluoropropyl)-6-methylpyrimidin-2-yl]-N,N-dimethylmethanamine
CID 117884211
4-N-ethyl-4-N-methyl-2-N,2-N-dipropyl-6-(4,4,4-trifluoro-3-methyliminobut-1-en-2-yl)pyrimidine-2,4-diamine
CID 132025140
2-N,2-N,4-N-trimethyl-4-N-(2-methylpropyl)-6-(4,4,4-trifluoro-3-methyliminobut-1-en-2-yl)pyrimidine-2,4-diamine
CID 132025152
2-ethyl-4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-6-methylpyrimidine
CID 134287012
1-[4-butyl-5-(3-fluoropropyl)-6-methylpyrimidin-2-yl]-N,N-dimethylmethanamine
CID 144389968
N-ethenyl-3-fluoro-1-methyl-5-[1-[4-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]ethenyl]pyridin-2-imine
CID 168216092

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine?
The IUPAC name of (E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine (CID 10682857) is (E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine.
What is the SMILES notation for (E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine?
The canonical SMILES for (E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine is CCc1nc(/C=C/N(CC)CC)c(CC)c(CC)n1.
What is the InChIKey of (E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine?
The InChIKey is ZNHQBASJSXQYJR-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H27N3/c1-6-13-14(7-2)17-16(8-3)18-15(13)11-12-19(9-4)10-5/h11-12H,6-10H2,1-5H3/b12-11+.
What are the key properties of (E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine?
(E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine has a molecular weight of 261.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-2-(2,5,6-triethylpyrimidin-4-yl)ethenamine is sourced from PubChem (CID 10682857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).