6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine

C14H20N2 — CID 166882348

IUPAC6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine
SMILESC=C/C=C\C(=C/C=C)C1=NCCC(C)(C)N1
InChIInChI=1S/C14H20N2/c1-5-7-9-12(8-6-2)13-15-11-10-14(3,4)16-13/h5-9H,1-2,10-11H2,3-4H3,(H,15,16)/b9-7-,12-8+
InChIKeySHMZCKJRBVAWIW-ZUQSVMQASA-N
MW216.33 g/mol
LogP3.01
Rot. Bonds4

About 6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine

6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine (PubChem CID 166882348) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine
PubChem CID166882348
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine
SMILESC=C/C=C\C(=C/C=C)C1=NCCC(C)(C)N1
InChIInChI=1S/C14H20N2/c1-5-7-9-12(8-6-2)13-15-11-10-14(3,4)16-13/h5-9H,1-2,10-11H2,3-4H3,(H,15,16)/b9-7-,12-8+
InChIKeySHMZCKJRBVAWIW-ZUQSVMQASA-N
XLogP3.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine with MolForge

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Related Compounds

Nitensidine E
CID 45267913
6-methyl-6-(4-methylpenta-1,3-dienyl)-4,5-dihydro-1H-pyrimidin-2-amine
CID 75107221
(6R)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-4,5-dihydro-1H-pyrimidin-2-amine
CID 162902423
(6S)-6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-4,5-dihydro-1H-pyrimidin-2-amine
CID 162902424
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
N',2-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboximidamide
CID 130220199
5-ethenyl-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 136489670
2-N,6-N-dibutyl-5-ethyl-3H-pyridine-2,6-diimine
CID 137053045
ethane;(5E,6E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5,6-bis(prop-2-enylidene)pyrimidin-4-amine
CID 142814888
N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide
CID 143258576
N-butan-2-yl-5,7,7-trimethyl-1H-azepin-2-imine
CID 143585579
N,6-diethyl-2H-azepin-7-amine;ethene
CID 143712976

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine?
The IUPAC name of 6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine (CID 166882348) is 6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine.
What is the SMILES notation for 6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine?
The canonical SMILES for 6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine is C=C/C=C\C(=C/C=C)C1=NCCC(C)(C)N1.
What is the InChIKey of 6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine?
The InChIKey is SHMZCKJRBVAWIW-ZUQSVMQASA-N. The full InChI is InChI=1S/C14H20N2/c1-5-7-9-12(8-6-2)13-15-11-10-14(3,4)16-13/h5-9H,1-2,10-11H2,3-4H3,(H,15,16)/b9-7-,12-8+.
What are the key properties of 6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine?
6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine has a molecular weight of 216.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,5-dihydro-1H-pyrimidine is sourced from PubChem (CID 166882348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).