6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine

C20H20FN3O — CID 78076645

IUPAC6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCOc1cccc(C(C)Nc2cc(-c3ccc(F)cc3)nc(C)n2)c1
InChIInChI=1S/C20H20FN3O/c1-13(16-5-4-6-18(11-16)25-3)22-20-12-19(23-14(2)24-20)15-7-9-17(21)10-8-15/h4-13H,1-3H3,(H,22,23,24)
InChIKeyIJQIEDAIFBVIPJ-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.77
Rot. Bonds5

About 6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine

6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 78076645) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID78076645
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCOc1cccc(C(C)Nc2cc(-c3ccc(F)cc3)nc(C)n2)c1
InChIInChI=1S/C20H20FN3O/c1-13(16-5-4-6-18(11-16)25-3)22-20-12-19(23-14(2)24-20)15-7-9-17(21)10-8-15/h4-13H,1-3H3,(H,22,23,24)
InChIKeyIJQIEDAIFBVIPJ-UHFFFAOYSA-N
XLogP4.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 123808204
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 127037314
6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 175167535
6-(1-benzofuran-5-yl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 127035529
6-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 70978418
6-(3-methoxy-4-methylphenyl)-2-methyl-N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine
CID 70977939
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
1-[3-[1-[[6-(1,3-benzothiazol-6-yl)-2-methylpyrimidin-4-yl]amino]ethyl]phenoxy]-1-fluoropropan-2-ol
CID 146486578
6-(3-fluorophenyl)-2-methyl-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 70976846
6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821848
6-(1H-indol-6-yl)-2-methyl-N-[1-[3-(piperidin-4-ylmethoxy)phenyl]ethyl]pyrimidin-4-amine
CID 175181050
2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline
CID 82818464

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine (CID 78076645) is 6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine is COc1cccc(C(C)Nc2cc(-c3ccc(F)cc3)nc(C)n2)c1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is IJQIEDAIFBVIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-13(16-5-4-6-18(11-16)25-3)22-20-12-19(23-14(2)24-20)15-7-9-17(21)10-8-15/h4-13H,1-3H3,(H,22,23,24).
What are the key properties of 6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine?
6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 337.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 78076645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).