N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine

C18H16FN3 — CID 4253034

IUPACN-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)cc(-c2ccccc2F)n1
InChIInChI=1S/C18H16FN3/c1-13-21-17(15-9-5-6-10-16(15)19)11-18(22-13)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyJRPLUICBDONNHW-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.20
Rot. Bonds4

About N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine

N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine (PubChem CID 4253034) has the molecular formula C18H16FN3 and a molecular weight of 293.35 g/mol. Its IUPAC name is N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine
PubChem CID4253034
Molecular FormulaC18H16FN3
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC NameN-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)cc(-c2ccccc2F)n1
InChIInChI=1S/C18H16FN3/c1-13-21-17(15-9-5-6-10-16(15)19)11-18(22-13)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyJRPLUICBDONNHW-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine (CID 4253034) is N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine is Cc1nc(NCc2ccccc2)cc(-c2ccccc2F)n1.
What is the InChIKey of N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine?
The InChIKey is JRPLUICBDONNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c1-13-21-17(15-9-5-6-10-16(15)19)11-18(22-13)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21,22).
What are the key properties of N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine?
N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine has a molecular weight of 293.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 4253034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).