N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine

C12H20N4 — CID 136593550

IUPACN,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine
SMILESCC=C(/C=N/C)C1=C(C)/C(=N/C)NCN1C
InChIInChI=1S/C12H20N4/c1-6-10(7-13-3)11-9(2)12(14-4)15-8-16(11)5/h6-7H,8H2,1-5H3,(H,14,15)/b10-6?,13-7+
InChIKeyFFMWTNLHNVPRAB-XNPQEMJOSA-N
MW220.32 g/mol
LogP1.43
Rot. Bonds2

About N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine

N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine (PubChem CID 136593550) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine.

Molecular Properties

Compound NameN,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine
PubChem CID136593550
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine
SMILESCC=C(/C=N/C)C1=C(C)/C(=N/C)NCN1C
InChIInChI=1S/C12H20N4/c1-6-10(7-13-3)11-9(2)12(14-4)15-8-16(11)5/h6-7H,8H2,1-5H3,(H,14,15)/b10-6?,13-7+
InChIKeyFFMWTNLHNVPRAB-XNPQEMJOSA-N
XLogP1.43
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-2,6-dihydro-1H-pyrimidin-6-amine
CID 90782623
(5E)-6-methylidene-5-[(Z)-3-methylpent-2-enylidene]-1,2-dihydropyrimidine
CID 126583286
(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine
CID 130343762
(6Z)-5-methylidene-6-propylidene-1,2-dihydropyrimidine
CID 130389549
N-but-3-en-2-yl-5-methyl-2-methylidene-1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]pyrimidin-4-imine
CID 137298524
ethane;(5E,6E)-4-N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-N-ethyl-6-ethylidene-5-prop-2-enylidene-2-N-propylpyrimidine-2,4-diamine;propane
CID 141966229
(5E,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-1,2-dihydropyrimidine;methane
CID 143195755
ethane;(5E,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyrimidine
CID 143256264
ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-1,2-dihydropyrimidine
CID 143256557
ethane;(5E,6E)-6-(2-methylprop-2-enylidene)-5-propylidene-1,2-dihydropyrimidine
CID 143256634
carbanide;ethane;(1Z)-N'-ethyl-1-(6-imino-3H-pyridin-3-id-5-ylidene)-N-methylmethanediamine;yttrium
CID 145636899
potassium [C-[(3Z,5E)-4-amino-6-(dimethylazaniumyl)-5-(methylazaniumylidenemethyl)hexa-1,3,5-trien-3-yl]-N-methylcarbonimidoyl]-methylazanide
CID 162735268

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine?
The IUPAC name of N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine (CID 136593550) is N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine.
What is the SMILES notation for N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine?
The canonical SMILES for N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine is CC=C(/C=N/C)C1=C(C)/C(=N/C)NCN1C.
What is the InChIKey of N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine?
The InChIKey is FFMWTNLHNVPRAB-XNPQEMJOSA-N. The full InChI is InChI=1S/C12H20N4/c1-6-10(7-13-3)11-9(2)12(14-4)15-8-16(11)5/h6-7H,8H2,1-5H3,(H,14,15)/b10-6?,13-7+.
What are the key properties of N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine?
N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine has a molecular weight of 220.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-4-(1-methyliminobut-2-en-2-yl)-1,2-dihydropyrimidin-6-imine is sourced from PubChem (CID 136593550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).