5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine

C22H20FN5O — CID 92567578

IUPAC5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
SMILESCOc1ccccc1CNc1ncc(-c2ccccc2F)c(-c2nccn2C)n1
InChIInChI=1S/C22H20FN5O/c1-28-12-11-24-21(28)20-17(16-8-4-5-9-18(16)23)14-26-22(27-20)25-13-15-7-3-6-10-19(15)29-2/h3-12,14H,13H2,1-2H3,(H,25,26,27)
InChIKeyLJAASNFYYVVGIU-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.30
Rot. Bonds6

About 5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine

5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine (PubChem CID 92567578) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
PubChem CID92567578
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
SMILESCOc1ccccc1CNc1ncc(-c2ccccc2F)c(-c2nccn2C)n1
InChIInChI=1S/C22H20FN5O/c1-28-12-11-24-21(28)20-17(16-8-4-5-9-18(16)23)14-26-22(27-20)25-13-15-7-3-6-10-19(15)29-2/h3-12,14H,13H2,1-2H3,(H,25,26,27)
InChIKeyLJAASNFYYVVGIU-UHFFFAOYSA-N
XLogP4.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine (CID 92567578) is 5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine is COc1ccccc1CNc1ncc(-c2ccccc2F)c(-c2nccn2C)n1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine?
The InChIKey is LJAASNFYYVVGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-28-12-11-24-21(28)20-17(16-8-4-5-9-18(16)23)14-26-22(27-20)25-13-15-7-3-6-10-19(15)29-2/h3-12,14H,13H2,1-2H3,(H,25,26,27).
What are the key properties of 5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine?
5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine has a molecular weight of 389.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 92567578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).