1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine

C11H14N2S — CID 708857

IUPAC1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine
SMILESCN1CCCN=C1/C=C/c1cccs1
InChIInChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+
InChIKeyYSAUAVHXTIETRK-AATRIKPKSA-N
MW206.31 g/mol
LogP2.50
Rot. Bonds2

About 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine

1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine (PubChem CID 708857) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine
PubChem CID708857
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine
SMILESCN1CCCN=C1/C=C/c1cccs1
InChIInChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+
InChIKeyYSAUAVHXTIETRK-AATRIKPKSA-N
XLogP2.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Morantel
CID 5353792
Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-((1Z)-2-(2-thienyl)ethenyl)-
CID 6914280
1-methyl-2-[2-(3-methyl-2-thiophenyl)ethenyl]-5,6-dihydro-4H-pyrimidine
CID 4250
1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine
CID 4989
Pyrantel hydrochloride
CID 6365307
methyl N-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)thiophene-2-carboximidothioate iodide
CID 15142093
FQ4M2JJ8DK
CID 6914279
8DK3CK49VC
CID 156613618
1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine;hydrochloride
CID 3015106
(E)-N-cyano-N'-methyl-3-thiophen-2-ylprop-2-enimidamide
CID 13209248
(E)-N-cyano-N'-propan-2-yl-3-thiophen-2-ylprop-2-enimidamide
CID 20485744
1-methyl-N-(thiophen-2-ylmethyl)azepan-2-imine
CID 21395145

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine (CID 708857) is 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine is CN1CCCN=C1/C=C/c1cccs1.
What is the InChIKey of 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine?
The InChIKey is YSAUAVHXTIETRK-AATRIKPKSA-N. The full InChI is InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+.
What are the key properties of 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine?
1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine has a molecular weight of 206.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 708857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).