4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine

C14H23N3 — CID 145461578

IUPAC4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine
SMILESC=C1CC(/C(C)=C/C(=C\C)CC)N=C(N)N1C
InChIInChI=1S/C14H23N3/c1-6-12(7-2)8-10(3)13-9-11(4)17(5)14(15)16-13/h6,8,13H,4,7,9H2,1-3,5H3,(H2,15,16)/b10-8+,12-6-
InChIKeyNTBRZJMIRZVJHR-BLMUXKQVSA-N
MW233.36 g/mol
LogP2.82
Rot. Bonds3

About 4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine

4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine (PubChem CID 145461578) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine
PubChem CID145461578
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine
SMILESC=C1CC(/C(C)=C/C(=C\C)CC)N=C(N)N1C
InChIInChI=1S/C14H23N3/c1-6-12(7-2)8-10(3)13-9-11(4)17(5)14(15)16-13/h6,8,13H,4,7,9H2,1-3,5H3,(H2,15,16)/b10-8+,12-6-
InChIKeyNTBRZJMIRZVJHR-BLMUXKQVSA-N
XLogP2.82
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Methyl-4-methylidene-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine
CID 118446164
1-Butan-2-yl-1-cyclohexa-1,5-dien-1-yl-2-pentan-3-ylguanidine
CID 124112754
1-methyl-6-methylidene-4-[(Z)-1-methyliminobut-2-en-2-yl]-4,5-dihydropyrimidin-2-amine
CID 143595919
1-cyclohexyl-1-methyl-3-methylidene-2-[(4Z)-3-methylidenehexa-1,4-dien-2-yl]guanidine;ethene
CID 144132393
ethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine
CID 145461577
(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium
CID 145462184
(6E)-4-ethyl-3-methyl-6-prop-2-enylidene-4,5-dihydropyrimidine
CID 163468019
(6E)-5,6-di(ethylidene)-4-methyl-1,4-dihydropyrimidine
CID 173768702
(3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine
CID 174246762
5-Ethyl-1,4-dimethyl-6-methylidenepyrimidin-2-amine
CID 129938173
1,4-Dimethyl-6-methylidene-5-propan-2-ylpyrimidin-2-amine
CID 129938183
1-cyclohexyl-1-methyl-3-methylidene-2-[(4Z)-3-methylidenehexa-1,4-dien-2-yl]guanidine
CID 144132361

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine?
The IUPAC name of 4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine (CID 145461578) is 4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine.
What is the SMILES notation for 4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine?
The canonical SMILES for 4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine is C=C1CC(/C(C)=C/C(=C\C)CC)N=C(N)N1C.
What is the InChIKey of 4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine?
The InChIKey is NTBRZJMIRZVJHR-BLMUXKQVSA-N. The full InChI is InChI=1S/C14H23N3/c1-6-12(7-2)8-10(3)13-9-11(4)17(5)14(15)16-13/h6,8,13H,4,7,9H2,1-3,5H3,(H2,15,16)/b10-8+,12-6-.
What are the key properties of 4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine?
4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 145461578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).