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

C14H16FN3O — CID 62318386

IUPAC2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O/c1-16-13-8-12(9-19-2)17-14(18-13)7-10-3-5-11(15)6-4-10/h3-6,8H,7,9H2,1-2H3,(H,16,17,18)
InChIKeyQAOYNIQCAOSBLX-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.39
Rot. Bonds5

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

2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 62318386) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID62318386
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O/c1-16-13-8-12(9-19-2)17-14(18-13)7-10-3-5-11(15)6-4-10/h3-6,8H,7,9H2,1-2H3,(H,16,17,18)
InChIKeyQAOYNIQCAOSBLX-UHFFFAOYSA-N
XLogP2.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 62318386) is 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(COC)nc(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is QAOYNIQCAOSBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-16-13-8-12(9-19-2)17-14(18-13)7-10-3-5-11(15)6-4-10/h3-6,8H,7,9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62318386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).