N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine

C19H19FN4 — CID 56584468

IUPACN-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(N(C)Cc2ccccc2F)c1C
InChIInChI=1S/C19H19FN4/c1-13-14(2)22-18(17-10-6-7-11-21-17)23-19(13)24(3)12-15-8-4-5-9-16(15)20/h4-11H,12H2,1-3H3
InChIKeyYPXDYPMSBQVGTB-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.93
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine

N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 56584468) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID56584468
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC NameN-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(N(C)Cc2ccccc2F)c1C
InChIInChI=1S/C19H19FN4/c1-13-14(2)22-18(17-10-6-7-11-21-17)23-19(13)24(3)12-15-8-4-5-9-16(15)20/h4-11H,12H2,1-3H3
InChIKeyYPXDYPMSBQVGTB-UHFFFAOYSA-N
XLogP3.93
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine (CID 56584468) is N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(N(C)Cc2ccccc2F)c1C.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is YPXDYPMSBQVGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-13-14(2)22-18(17-10-6-7-11-21-17)23-19(13)24(3)12-15-8-4-5-9-16(15)20/h4-11H,12H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine?
N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 322.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56584468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).