2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C14H16FN3OS — CID 66066513

IUPAC2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3OS/c1-16-13-7-11(8-19-2)17-14(18-13)9-20-12-5-3-10(15)4-6-12/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyONPIQQCJURRIGZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.10
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 66066513) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID66066513
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3OS/c1-16-13-7-11(8-19-2)17-14(18-13)9-20-12-5-3-10(15)4-6-12/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyONPIQQCJURRIGZ-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-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

Related Compounds

6-(methoxymethyl)-N-{2-[(2-methylbenzyl)thio]ethyl}pyrimidin-4-amine
CID 72875998
2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-((2-(dimethylamino)ethoxy)methyl)-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-phenyl-, dihydrobromide
CID 3043679
4-[6-[(4-Fluorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine
CID 143633110
6-[2-(dimethylamino)ethoxymethyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine
CID 3043680
2-(4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 55062732
2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318386
N-ethyl-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 62318391
2-[(2-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318574
2-(3-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318577
2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62318776
2-(3-fluorophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62318955
2-(3,4-difluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62319135

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 66066513) is 2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(COC)nc(CSc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is ONPIQQCJURRIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-16-13-7-11(8-19-2)17-14(18-13)9-20-12-5-3-10(15)4-6-12/h3-7H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66066513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).