6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine

C22H18FN5 — CID 155567650

IUPAC6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESFc1ccccc1-c1cc(N(Cc2ccccn2)Cc2ccccn2)ncn1
InChIInChI=1S/C22H18FN5/c23-20-10-2-1-9-19(20)21-13-22(27-16-26-21)28(14-17-7-3-5-11-24-17)15-18-8-4-6-12-25-18/h1-13,16H,14-15H2
InChIKeyHKMGBPUXYJCXCB-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.28
Rot. Bonds6

About 6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine

6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 155567650) has the molecular formula C22H18FN5 and a molecular weight of 371.42 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID155567650
Molecular FormulaC22H18FN5
Molecular Weight371.42 g/mol
Exact Mass371.15
IUPAC Name6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESFc1ccccc1-c1cc(N(Cc2ccccn2)Cc2ccccn2)ncn1
InChIInChI=1S/C22H18FN5/c23-20-10-2-1-9-19(20)21-13-22(27-16-26-21)28(14-17-7-3-5-11-24-17)15-18-8-4-6-12-25-18/h1-13,16H,14-15H2
InChIKeyHKMGBPUXYJCXCB-UHFFFAOYSA-N
XLogP4.28
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 155567650) is 6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine is Fc1ccccc1-c1cc(N(Cc2ccccn2)Cc2ccccn2)ncn1.
What is the InChIKey of 6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is HKMGBPUXYJCXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5/c23-20-10-2-1-9-19(20)21-13-22(27-16-26-21)28(14-17-7-3-5-11-24-17)15-18-8-4-6-12-25-18/h1-13,16H,14-15H2.
What are the key properties of 6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 371.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-N,N-bis(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 155567650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).