(5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine

C13H19N3 — CID 142229076

IUPAC(5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine
SMILESC=C/C=C\C=C1\C(N(C)C)=NC(C)=NC1C
InChIInChI=1S/C13H19N3/c1-6-7-8-9-12-10(2)14-11(3)15-13(12)16(4)5/h6-10H,1H2,2-5H3/b8-7-,12-9+
InChIKeySYDLCAKKCBEGRC-HVTAIUIQSA-N
MW217.32 g/mol
LogP2.44
Rot. Bonds2

About (5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine

(5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine (PubChem CID 142229076) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine.

Molecular Properties

Compound Name(5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine
PubChem CID142229076
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine
SMILESC=C/C=C\C=C1\C(N(C)C)=NC(C)=NC1C
InChIInChI=1S/C13H19N3/c1-6-7-8-9-12-10(2)14-11(3)15-13(12)16(4)5/h6-10H,1H2,2-5H3/b8-7-,12-9+
InChIKeySYDLCAKKCBEGRC-HVTAIUIQSA-N
XLogP2.44
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine with MolForge

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Related Compounds

N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56625185
(2S)-N,N,2,4-tetramethyl-2,3-dihydropyridin-6-amine
CID 67991657
(2S)-N,N,2,5-tetramethyl-2,3-dihydropyridin-6-amine
CID 67991658
N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine
CID 91462281
(4S,5Z,7Z)-1,4,9-trimethyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]-4,9-dihydro-1,3-diazonine
CID 129163450
N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142228197
ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine
CID 142228891
N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine
CID 142228892
(5Z)-5-[(Z)-but-2-enylidene]-4-ethenyl-N,N,2-trimethyl-4,6-dihydro-1,3-diazepin-7-amine
CID 142229546
N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142229587
N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine
CID 142230302
N,N,4-trimethyl-3,5-diazabicyclo[5.5.0]dodeca-1(12),2,4,7,10-pentaen-2-amine
CID 142230500

Frequently Asked Questions

What is the IUPAC name of (5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine?
The IUPAC name of (5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine (CID 142229076) is (5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine.
What is the SMILES notation for (5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine?
The canonical SMILES for (5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine is C=C/C=C\C=C1\C(N(C)C)=NC(C)=NC1C.
What is the InChIKey of (5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine?
The InChIKey is SYDLCAKKCBEGRC-HVTAIUIQSA-N. The full InChI is InChI=1S/C13H19N3/c1-6-7-8-9-12-10(2)14-11(3)15-13(12)16(4)5/h6-10H,1H2,2-5H3/b8-7-,12-9+.
What are the key properties of (5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine?
(5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine has a molecular weight of 217.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine is sourced from PubChem (CID 142229076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).