2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine

C11H16N2 — CID 142943250

IUPAC2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCN1CCCN=C1C1=CCCC=C1
InChIInChI=1S/C11H16N2/c1-13-9-5-8-12-11(13)10-6-3-2-4-7-10/h3,6-7H,2,4-5,8-9H2,1H3
InChIKeyOXSUTXVWGAVMES-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.00
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine

2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine (PubChem CID 142943250) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine
PubChem CID142943250
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCN1CCCN=C1C1=CCCC=C1
InChIInChI=1S/C11H16N2/c1-13-9-5-8-12-11(13)10-6-3-2-4-7-10/h3,6-7H,2,4-5,8-9H2,1H3
InChIKeyOXSUTXVWGAVMES-UHFFFAOYSA-N
XLogP2.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-ethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
CID 89691873
(4S,5Z,7Z)-1,4,9-trimethyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]-4,9-dihydro-1,3-diazonine
CID 129163450
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
CID 134557797
ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine
CID 142228891
(5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine
CID 142229076
N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142229587
N,2-diethylisoquinolin-3-imine;ethane
CID 142838375
ethane;3-methyl-3,4-dihydro-2H-pyrimido[1,2-b]isoquinoline
CID 142854301
2-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)-1-methyl-4,5-dihydroimidazole
CID 142943254
2-cyclohepta-1,3,6-trien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine
CID 143028502
N'-methyl-N-propylcyclohexa-1,5-diene-1-carboximidamide
CID 143258576
N,N,1-trimethyl-2-[(E)-prop-1-enyl]-8aH-quinazolin-4-amine
CID 143956474

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine (CID 142943250) is 2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine is CN1CCCN=C1C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is OXSUTXVWGAVMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-13-9-5-8-12-11(13)10-6-3-2-4-7-10/h3,6-7H,2,4-5,8-9H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine?
2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 176.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-1-methyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 142943250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).