2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine

C18H19ClN2O2 — CID 82240364

IUPAC2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCOc1cccc(C2=NCCCN2)c1OCc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-22-16-9-4-7-14(18-20-10-5-11-21-18)17(16)23-12-13-6-2-3-8-15(13)19/h2-4,6-9H,5,10-12H2,1H3,(H,20,21)
InChIKeyJYAKQSZOOVOMSY-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.67
Rot. Bonds5

About 2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine

2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82240364) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82240364
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCOc1cccc(C2=NCCCN2)c1OCc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-22-16-9-4-7-14(18-20-10-5-11-21-18)17(16)23-12-13-6-2-3-8-15(13)19/h2-4,6-9H,5,10-12H2,1H3,(H,20,21)
InChIKeyJYAKQSZOOVOMSY-UHFFFAOYSA-N
XLogP3.67
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2,6-dimethoxyphenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252949
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252897
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252922
2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82246354
N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide
CID 82240097
2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N-phenylacetamide
CID 82252786
2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82247905
N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 82249227
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208009
2-[2-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239973
2-[3-chloro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine;hydrochloride
CID 69239082
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82242953

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine (CID 82240364) is 2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine is COc1cccc(C2=NCCCN2)c1OCc1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is JYAKQSZOOVOMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-22-16-9-4-7-14(18-20-10-5-11-21-18)17(16)23-12-13-6-2-3-8-15(13)19/h2-4,6-9H,5,10-12H2,1H3,(H,20,21).
What are the key properties of 2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 330.82 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82240364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).