(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine

C18H28N4 — CID 142228241

IUPAC(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine
SMILESC=c1nc(NCC2CCCCC2)nc(N(C)C)/c1=C/C=C\C
InChIInChI=1S/C18H28N4/c1-5-6-12-16-14(2)20-18(21-17(16)22(3)4)19-13-15-10-8-7-9-11-15/h5-6,12,15H,2,7-11,13H2,1,3-4H3,(H,19,20)/b6-5-,16-12+
InChIKeyPBRMAEDRNXSSEA-NYGIZROYSA-N
MW300.45 g/mol
LogP2.30
Rot. Bonds5

About (5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine

(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine (PubChem CID 142228241) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is (5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine.

Molecular Properties

Compound Name(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine
PubChem CID142228241
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine
SMILESC=c1nc(NCC2CCCCC2)nc(N(C)C)/c1=C/C=C\C
InChIInChI=1S/C18H28N4/c1-5-6-12-16-14(2)20-18(21-17(16)22(3)4)19-13-15-10-8-7-9-11-15/h5-6,12,15H,2,7-11,13H2,1,3-4H3,(H,19,20)/b6-5-,16-12+
InChIKeyPBRMAEDRNXSSEA-NYGIZROYSA-N
XLogP2.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine
CID 142228503
N'-[N'-(cyclohexylmethyl)-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]carbamimidoyl]-N,N-dimethylethanimidamide
CID 142228723
2-N-(cyclohexylmethyl)-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142229396
N-[3-[[(Z)-but-2-enyl]-methylamino]but-3-enyl]-N'-[N'-(cyclohexylmethyl)-N-[(3Z,5Z)-octa-1,3,5,7-tetraen-2-yl]carbamimidoyl]-N-methylethanimidamide
CID 142229542
(4aE,7Z)-2-(cyclohexylmethylimino)-N,N-dimethyl-6,9,10,10a-tetrahydro-1H-cycloocta[d]pyrimidin-4-amine
CID 142230397
4-N,4-N-dimethyl-2-N-[(5S)-5-methylheptan-2-yl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230474
4-N,4-N-dimethyl-2-N-[(4S)-4-methyloctyl]-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230604
2-N-(cyclohexylmethyl)-4-N-ethyl-4-N-methyl-6,7-dihydroquinazoline-2,4-diamine
CID 142230774
4-N,4-N-dimethyl-2-N-(4-methylcyclohexyl)-8H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230849
4-N,4-N-dimethyl-2-N-[4-(2-methylbutyl)cyclohexyl]-6,7-dihydroquinazoline-2,4-diamine
CID 142230883
4-N,4-N-dimethyl-2-N-[(4-methylcyclohexyl)methyl]-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230886
2-N-(cyclohexylmethyl)-4-N,4-N-diethyl-6H-cyclohepta[d]pyrimidine-2,4-diamine
CID 142231142

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine?
The IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine (CID 142228241) is (5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine.
What is the SMILES notation for (5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine?
The canonical SMILES for (5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine is C=c1nc(NCC2CCCCC2)nc(N(C)C)/c1=C/C=C\C.
What is the InChIKey of (5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine?
The InChIKey is PBRMAEDRNXSSEA-NYGIZROYSA-N. The full InChI is InChI=1S/C18H28N4/c1-5-6-12-16-14(2)20-18(21-17(16)22(3)4)19-13-15-10-8-7-9-11-15/h5-6,12,15H,2,7-11,13H2,1,3-4H3,(H,19,20)/b6-5-,16-12+.
What are the key properties of (5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine?
(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine has a molecular weight of 300.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine is sourced from PubChem (CID 142228241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).