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

C17H16ClFN2O — CID 82240080

IUPAC2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
SMILESFc1cccc(OCc2ccc(Cl)cc2)c1C1=NCCCN1
InChIInChI=1S/C17H16ClFN2O/c18-13-7-5-12(6-8-13)11-22-15-4-1-3-14(19)16(15)17-20-9-2-10-21-17/h1,3-8H,2,9-11H2,(H,20,21)
InChIKeySNNJANWHIPWZNH-UHFFFAOYSA-N
MW318.78 g/mol
LogP3.80
Rot. Bonds4

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

2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82240080) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82240080
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
SMILESFc1cccc(OCc2ccc(Cl)cc2)c1C1=NCCCN1
InChIInChI=1S/C17H16ClFN2O/c18-13-7-5-12(6-8-13)11-22-15-4-1-3-14(19)16(15)17-20-9-2-10-21-17/h1,3-8H,2,9-11H2,(H,20,21)
InChIKeySNNJANWHIPWZNH-UHFFFAOYSA-N
XLogP3.80
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-Chloro-phenoxy)-phenyl]-4,5-dihydro-1H-imidazole
CID 9925488
2-(4-tert-butyl-2-ethoxyphenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 71762929
6-[3-(4-chlorophenoxy)propylimino]-2-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;hydrochloride
CID 136000587
6-[3-(4-chlorophenoxy)propylimino]-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine;hydrochloride
CID 136033419
1-{5-chloro-2-[(4-fluorobenzyl)oxy]phenyl}-N-(piperidin-4-ylmethyl)methanamine
CID 16004327
1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride
CID 207719
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721375
N-{2-[(4-chlorobenzyl)oxy]benzyl}propan-2-amine
CID 17155664
N6-[3-(4-chlorophenoxy)propyl]-2-phenyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 136000588
N6-[3-(4-chlorophenoxy)propyl]-2-(4-fluorophenyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 136033420
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-N'-methylethane-1,2-diamine;dihydrochloride
CID 177655963
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;dihydrochloride
CID 177656208

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine (CID 82240080) is 2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine is Fc1cccc(OCc2ccc(Cl)cc2)c1C1=NCCCN1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is SNNJANWHIPWZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-13-7-5-12(6-8-13)11-22-15-4-1-3-14(19)16(15)17-20-9-2-10-21-17/h1,3-8H,2,9-11H2,(H,20,21).
What are the key properties of 2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 318.78 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methoxy]-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82240080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).