1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine

C18H26N2S — CID 2806816

IUPAC1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine
SMILESCc1ccc(CSC2=NCCCN2C2CCCCC2)cc1
InChIInChI=1S/C18H26N2S/c1-15-8-10-16(11-9-15)14-21-18-19-12-5-13-20(18)17-6-3-2-4-7-17/h8-11,17H,2-7,12-14H2,1H3
InChIKeyFEKKHBNEKQVNMN-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.62
Rot. Bonds3

About 1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine

1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine (PubChem CID 2806816) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine
PubChem CID2806816
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine
SMILESCc1ccc(CSC2=NCCCN2C2CCCCC2)cc1
InChIInChI=1S/C18H26N2S/c1-15-8-10-16(11-9-15)14-21-18-19-12-5-13-20(18)17-6-3-2-4-7-17/h8-11,17H,2-7,12-14H2,1H3
InChIKeyFEKKHBNEKQVNMN-UHFFFAOYSA-N
XLogP4.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N,N-dibenzyl-N'-prop-2-enylcarbamimidothioate;hydrochloride
CID 20407621
ethyl N,N-dibenzyl-N'-prop-2-enylcarbamimidothioate;hydroiodide
CID 44582558
Pseudourea, 2-benzyl-1-cyclohexyl-3-isopropyl-2-thio-, hydrochloride
CID 203293
Pseudourea, 2-benzyl-1,3-dicyclohexyl-2-thio-, hydrochloride
CID 203316
Pseudourea, 1,3-dicyclohexyl-2-(3-phenylpropyl)-2-thio-, hydrobromide
CID 203821
2-Benzyl-1,3-dicyclohexyl-isothiourea
CID 203317
1-cyclohexyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine
CID 2806822
1-cyclohexyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine
CID 2806830
ethyl N,N-dibenzyl-N'-prop-2-enylcarbamimidothioate;hydrobromide
CID 44582557
2-Benzyl-1-cyclohexyl-3-methyl-isothiourea
CID 546141
1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine;hydrochloride
CID 2806815
2-benzylsulfanyl-1-cyclohexyl-5,6-dihydro-4H-pyrimidine chloride
CID 45108820

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine (CID 2806816) is 1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine is Cc1ccc(CSC2=NCCCN2C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine?
The InChIKey is FEKKHBNEKQVNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-15-8-10-16(11-9-15)14-21-18-19-12-5-13-20(18)17-6-3-2-4-7-17/h8-11,17H,2-7,12-14H2,1H3.
What are the key properties of 1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine?
1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine has a molecular weight of 302.49 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 2806816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).