2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen

C21H28N2O — CID 142160816

IUPAC2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen
SMILESCOc1ccc(C)cc1CC(C)c1ccccc1C1=NCCCN1.[H][H]
InChIInChI=1S/C21H26N2O.H2/c1-15-9-10-20(24-3)17(13-15)14-16(2)18-7-4-5-8-19(18)21-22-11-6-12-23-21;/h4-5,7-10,13,16H,6,11-12,14H2,1-3H3,(H,22,23);1H
InChIKeyTVFADDLVXRTXCH-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.34
Rot. Bonds5

About 2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen

2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen (PubChem CID 142160816) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen.

Molecular Properties

Compound Name2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen
PubChem CID142160816
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen
SMILESCOc1ccc(C)cc1CC(C)c1ccccc1C1=NCCCN1.[H][H]
InChIInChI=1S/C21H26N2O.H2/c1-15-9-10-20(24-3)17(13-15)14-16(2)18-7-4-5-8-19(18)21-22-11-6-12-23-21;/h4-5,7-10,13,16H,6,11-12,14H2,1-3H3,(H,22,23);1H
InChIKeyTVFADDLVXRTXCH-UHFFFAOYSA-N
XLogP4.34
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen with MolForge

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Related Compounds

2-[2-[1-[5-bromo-2-(methoxymethyl)phenyl]propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 143153078
hydroxy-[4-methoxy-3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]phenyl]-methylideneazanium
CID 147484748
2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanylmethyl]phenyl]-1,4,5,6-tetrahydropyrimidine;formic acid
CID 69236011
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82242953
2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82246354
2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82243218
N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 82249227
2-[2-[2-(2-ethyl-5-methylphenyl)ethyl]-3-methylphenyl]-1,4,5,6-tetrahydropyrimidine
CID 142160804
3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)quinoline
CID 20628478
2-(2-methoxy-5-methylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63078954
2-[4-[[2-fluoro-3-[[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]methyl]phenyl]methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine;dihydrochloride
CID 162469308
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63443300

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen?
The IUPAC name of 2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen (CID 142160816) is 2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen.
What is the SMILES notation for 2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen?
The canonical SMILES for 2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen is COc1ccc(C)cc1CC(C)c1ccccc1C1=NCCCN1.[H][H].
What is the InChIKey of 2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen?
The InChIKey is TVFADDLVXRTXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.H2/c1-15-9-10-20(24-3)17(13-15)14-16(2)18-7-4-5-8-19(18)21-22-11-6-12-23-21;/h4-5,7-10,13,16H,6,11-12,14H2,1-3H3,(H,22,23);1H.
What are the key properties of 2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen?
2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen has a molecular weight of 324.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]phenyl]-1,4,5,6-tetrahydropyrimidine;molecular hydrogen is sourced from PubChem (CID 142160816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).