1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine

C12H16N2S — CID 5353792

IUPAC1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
SMILESCc1ccsc1/C=C/C1=NCCCN1C
InChIInChI=1S/C12H16N2S/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3/b5-4+
InChIKeyNVEPPWDVLBMNMB-SNAWJCMRSA-N
MW220.34 g/mol
LogP2.80
Rot. Bonds2

About 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine

1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine (PubChem CID 5353792) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
PubChem CID5353792
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
SMILESCc1ccsc1/C=C/C1=NCCCN1C
InChIInChI=1S/C12H16N2S/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3/b5-4+
InChIKeyNVEPPWDVLBMNMB-SNAWJCMRSA-N
XLogP2.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrantel
CID 708857
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
FQ4M2JJ8DK
CID 6914279
8DK3CK49VC
CID 156613618
1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine;hydrochloride
CID 3015106
1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine
CID 54322951
6-Methyl-2-[2-(3-methylthiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine
CID 67841971
1,1-dimethyl-2-[2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidin-1-ium
CID 67944842
1-methyl-5-(2-methylthiophen-3-yl)-5,6-dihydro-4H-pyrimidine
CID 70553276

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine (CID 5353792) is 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine is Cc1ccsc1/C=C/C1=NCCCN1C.
What is the InChIKey of 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine?
The InChIKey is NVEPPWDVLBMNMB-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H16N2S/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3/b5-4+.
What are the key properties of 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine?
1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine has a molecular weight of 220.34 g/mol, XLogP of 2.80, 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-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 5353792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).