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

C16H29N3 — CID 145461577

IUPACethane;4-[(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.CC
InChIInChI=1S/C14H23N3.C2H6/c1-6-12(7-2)8-10(3)13-9-11(4)17(5)14(15)16-13;1-2/h6,8,13H,4,7,9H2,1-3,5H3,(H2,15,16);1-2H3/b10-8+,12-6-;
InChIKeyCRJMBLBETZRWSP-VCRYDKMHSA-N
MW263.43 g/mol
LogP3.85
Rot. Bonds3

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

ethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine (PubChem CID 145461577) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is ethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine.

Molecular Properties

Compound Nameethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine
PubChem CID145461577
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Nameethane;4-[(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.CC
InChIInChI=1S/C14H23N3.C2H6/c1-6-12(7-2)8-10(3)13-9-11(4)17(5)14(15)16-13;1-2/h6,8,13H,4,7,9H2,1-3,5H3,(H2,15,16);1-2H3/b10-8+,12-6-;
InChIKeyCRJMBLBETZRWSP-VCRYDKMHSA-N
XLogP3.85
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.85
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;propane
CID 144132360
1-cyclohexyl-1-methyl-3-methylidene-2-[(4Z)-3-methylidenehexa-1,4-dien-2-yl]guanidine;ethene
CID 144132393
(4S)-4-cyclopenta-1,3-dien-1-yl-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine;rutherfordium
CID 145462184
N-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)methyl]-N,1,5-trimethyl-6-methylidene-4-prop-1-en-2-ylpyrimidin-2-amine
CID 170182821
1-cyclohexyl-1-methyl-3-methylidene-2-[(4Z)-3-methylidenehexa-1,4-dien-2-yl]guanidine
CID 144132361
4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine
CID 145461578

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine?
The IUPAC name of ethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine (CID 145461577) is ethane;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 ethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine?
The InChIKey is CRJMBLBETZRWSP-VCRYDKMHSA-N. The full InChI is InChI=1S/C14H23N3.C2H6/c1-6-12(7-2)8-10(3)13-9-11(4)17(5)14(15)16-13;1-2/h6,8,13H,4,7,9H2,1-3,5H3,(H2,15,16);1-2H3/b10-8+,12-6-;.
What are the key properties of ethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine?
ethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2E,4Z)-4-ethylhexa-2,4-dien-2-yl]-1-methyl-6-methylidene-4,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 145461577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).