5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine

C18H15ClFN3O — CID 58020028

IUPAC5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine
SMILESCOc1ccc(Cc2cnc(N)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C18H15ClFN3O/c1-24-15-6-5-13(7-11-9-22-18(21)23-10-11)17(20)16(15)12-3-2-4-14(19)8-12/h2-6,8-10H,7H2,1H3,(H2,21,22,23)
InChIKeyVUSIIZVVJJHJOI-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.12
Rot. Bonds4

About 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine

5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine (PubChem CID 58020028) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine
PubChem CID58020028
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine
SMILESCOc1ccc(Cc2cnc(N)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C18H15ClFN3O/c1-24-15-6-5-13(7-11-9-22-18(21)23-10-11)17(20)16(15)12-3-2-4-14(19)8-12/h2-6,8-10H,7H2,1H3,(H2,21,22,23)
InChIKeyVUSIIZVVJJHJOI-UHFFFAOYSA-N
XLogP4.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridin-2-amine;ethane
CID 143810459
2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol
CID 70228503
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidine
CID 58019926
2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]-methylamino]ethanol;2-(methylamino)ethanol
CID 160582539
[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane
CID 160583131
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1H-pyridin-2-one
CID 70224222
1-[(2R)-1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]azetidin-2-yl]ethanone
CID 58020277
3-amino-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]phenol;3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-5-nitrophenol
CID 159113776
2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]piperidine-2-carboxylic acid;piperidine-2-carboxylic acid
CID 158063012
3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride
CID 68793255
1-[5-[[2-fluoro-4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrimidin-2-yl]azetidine-2-carboxylic acid
CID 70228417
2-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrazol-3-yl]pyridine
CID 58020359

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine (CID 58020028) is 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine is COc1ccc(Cc2cnc(N)nc2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine?
The InChIKey is VUSIIZVVJJHJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-24-15-6-5-13(7-11-9-22-18(21)23-10-11)17(20)16(15)12-3-2-4-14(19)8-12/h2-6,8-10H,7H2,1H3,(H2,21,22,23).
What are the key properties of 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine?
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine has a molecular weight of 343.79 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 58020028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).