(5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine

C20H32N4 — CID 142231416

IUPAC(5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine
SMILESC=CC/C=C\C=C1/CN=C(NCC2CCCCC2)N=C1N(C)CC
InChIInChI=1S/C20H32N4/c1-4-6-7-11-14-18-16-22-20(23-19(18)24(3)5-2)21-15-17-12-9-8-10-13-17/h4,7,11,14,17H,1,5-6,8-10,12-13,15-16H2,2-3H3,(H,21,22)/b11-7-,18-14+
InChIKeyVFENPOOCWVPSHL-YEVUBHQRSA-N
MW328.50 g/mol
LogP3.93
Rot. Bonds6

About (5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine

(5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine (PubChem CID 142231416) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is (5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine.

Molecular Properties

Compound Name(5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine
PubChem CID142231416
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name(5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine
SMILESC=CC/C=C\C=C1/CN=C(NCC2CCCCC2)N=C1N(C)CC
InChIInChI=1S/C20H32N4/c1-4-6-7-11-14-18-16-22-20(23-19(18)24(3)5-2)21-15-17-12-9-8-10-13-17/h4,7,11,14,17H,1,5-6,8-10,12-13,15-16H2,2-3H3,(H,21,22)/b11-7-,18-14+
InChIKeyVFENPOOCWVPSHL-YEVUBHQRSA-N
XLogP3.93
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-[3-[[C-ethyl-N-[(Z)-4-methylpent-2-enyl]carbonimidoyl]amino]-2-methylpropylidene]cyclohexylidene]propyl]-N',4-dimethylhexanimidamide
CID 134270618
N'-[(Z,1R)-1-aminooct-5-enyl]-N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylcyclohexanecarboximidamide
CID 164172759
(4S)-N-[amino-[(1R)-cyclohexa-2,4-dien-1-yl]methyl]-4-ethyl-N-methylcyclohexene-1-carboximidamide
CID 173977058
N-[(1S)-1-amino-2-ethylidene-4-[(6S)-6-[(3E)-hexa-3,5-dien-3-yl]cyclohex-3-en-1-yl]pent-3-enyl]-N'-[2-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]ethyl]cyclohepta-1,6-diene-1-carboximidamide
CID 174316285
(5E)-5-[(Z)-but-2-enylidene]-2-N-(cyclohexylmethyl)-4-N,4-N-dimethyl-6-methylidenepyrimidine-2,4-diamine
CID 142228241
2-N-(cyclohexylmethyl)-4-N-propan-2-yl-1,9a-dihydrocyclohepta[d]pyrimidine-2,4-diimine
CID 142228503
(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-[(4R)-4-methylcycloheptyl]-9aH-cyclohepta[d]pyrimidine-2,4-diamine
CID 142230577
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

Frequently Asked Questions

What is the IUPAC name of (5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine?
The IUPAC name of (5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine (CID 142231416) is (5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine.
What is the SMILES notation for (5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine?
The canonical SMILES for (5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine is C=CC/C=C\C=C1/CN=C(NCC2CCCCC2)N=C1N(C)CC.
What is the InChIKey of (5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine?
The InChIKey is VFENPOOCWVPSHL-YEVUBHQRSA-N. The full InChI is InChI=1S/C20H32N4/c1-4-6-7-11-14-18-16-22-20(23-19(18)24(3)5-2)21-15-17-12-9-8-10-13-17/h4,7,11,14,17H,1,5-6,8-10,12-13,15-16H2,2-3H3,(H,21,22)/b11-7-,18-14+.
What are the key properties of (5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine?
(5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine has a molecular weight of 328.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-N-(cyclohexylmethyl)-6-N-ethyl-5-[(2Z)-hexa-2,5-dienylidene]-6-N-methyl-4H-pyrimidine-2,6-diamine is sourced from PubChem (CID 142231416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).