(5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine

C12H17N3 — CID 142228454

IUPAC(5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine
SMILESC=c1nc(C)nc(N(C)C)/c1=C/C=C\C
InChIInChI=1S/C12H17N3/c1-6-7-8-11-9(2)13-10(3)14-12(11)15(4)5/h6-8H,2H2,1,3-5H3/b7-6-,11-8+
InChIKeyNUXIZOWKJQMEDW-BQGCWICQSA-N
MW203.29 g/mol
LogP0.62
Rot. Bonds2

About (5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine

(5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine (PubChem CID 142228454) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine.

Molecular Properties

Compound Name(5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine
PubChem CID142228454
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine
SMILESC=c1nc(C)nc(N(C)C)/c1=C/C=C\C
InChIInChI=1S/C12H17N3/c1-6-7-8-11-9(2)13-10(3)14-12(11)15(4)5/h6-8H,2H2,1,3-5H3/b7-6-,11-8+
InChIKeyNUXIZOWKJQMEDW-BQGCWICQSA-N
XLogP0.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
(2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide
CID 134524702
(3Z)-3-ethylidene-1-methyl-N-propan-2-ylpyrrol-2-imine
CID 139562238
(2E)-2-ethenyl-N,N,N'-trimethylpenta-2,4-dienimidamide
CID 141985201
N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142228197
(5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine
CID 142229076
N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142229587
ethane;1-ethenyl-N,4-dimethylpyridin-2-imine
CID 143611153
N-methyl-1-(3-methylbut-1-en-2-yl)pyridin-2-imine
CID 145675572
5,6-bis(ethenyl)-2-ethyl-3-methyl-4H-pyrimidine
CID 145681479
methane;N,1,4-trimethylpyridin-2-imine
CID 159097161
ethane;1-ethenyl-N,4-dimethylpyridin-2-imine
CID 168188884

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine?
The IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine (CID 142228454) is (5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine.
What is the SMILES notation for (5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine?
The canonical SMILES for (5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine is C=c1nc(C)nc(N(C)C)/c1=C/C=C\C.
What is the InChIKey of (5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine?
The InChIKey is NUXIZOWKJQMEDW-BQGCWICQSA-N. The full InChI is InChI=1S/C12H17N3/c1-6-7-8-11-9(2)13-10(3)14-12(11)15(4)5/h6-8H,2H2,1,3-5H3/b7-6-,11-8+.
What are the key properties of (5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine?
(5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine has a molecular weight of 203.29 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-but-2-enylidene]-N,N,2-trimethyl-6-methylidenepyrimidin-4-amine is sourced from PubChem (CID 142228454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).