2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine

C19H22N2O2S — CID 22744813

IUPAC2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCOc1cc(CSc2ccccc2C2=NCCCN2)cc(OC)c1
InChIInChI=1S/C19H22N2O2S/c1-22-15-10-14(11-16(12-15)23-2)13-24-18-7-4-3-6-17(18)19-20-8-5-9-21-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3,(H,20,21)
InChIKeyYZQSLUVOBLBNMG-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.74
Rot. Bonds6

About 2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine

2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 22744813) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID22744813
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCOc1cc(CSc2ccccc2C2=NCCCN2)cc(OC)c1
InChIInChI=1S/C19H22N2O2S/c1-22-15-10-14(11-16(12-15)23-2)13-24-18-7-4-3-6-17(18)19-20-8-5-9-21-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3,(H,20,21)
InChIKeyYZQSLUVOBLBNMG-UHFFFAOYSA-N
XLogP3.74
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[2-methoxy-5-(4-methoxyphenyl)phenyl]methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744969
2-[2-[(2-methoxynaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744940
2-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744993
hydroxy-[4-methoxy-3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]phenyl]-methylideneazanium
CID 147484748
2-[2-[(4-methylnaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744884
6-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-3H-azepine
CID 143152937
2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 11265984
2-[2-[2-(2,5-dimethoxyphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 11536881
2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol
CID 82243113
2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanylmethyl]phenyl]-1,4,5,6-tetrahydropyrimidine;formic acid
CID 69236011
2-[2-[1-[5-bromo-2-(methoxymethyl)phenyl]propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 143153078
2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82246354

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine (CID 22744813) is 2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine is COc1cc(CSc2ccccc2C2=NCCCN2)cc(OC)c1.
What is the InChIKey of 2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is YZQSLUVOBLBNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-22-15-10-14(11-16(12-15)23-2)13-24-18-7-4-3-6-17(18)19-20-8-5-9-21-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 342.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 22744813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).