2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C13H13ClFN3O — CID 63087865

IUPAC2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C13H13ClFN3O/c1-16-12-6-9(7-19-2)17-13(18-12)8-3-4-11(15)10(14)5-8/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyYJSLZCPDKDDVHP-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.12
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 63087865) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID63087865
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C13H13ClFN3O/c1-16-12-6-9(7-19-2)17-13(18-12)8-3-4-11(15)10(14)5-8/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyYJSLZCPDKDDVHP-UHFFFAOYSA-N
XLogP3.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
CID 1476795
N-isopropyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 1476686
N-allyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 3723355
4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine
CID 2763927
5-(3-Chlorophenyl)-6-(ethoxymethyl)pyrimidine-2,4-diamine
CID 309417
6-(methoxymethyl)-2-phenyl-N-propyl-4-pyrimidinamine
CID 4314667
(2R)-3-[[2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-yl]amino]propane-1,2-diol
CID 59467852
2-[[2-(4-Chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 57392243
4-Chloro-6-(1-ethoxyethenyl)-5-fluoro-2-phenylpyrimidine
CID 138971010
2-{[6-(3-Chloro-2-fluorophenyl)pyrimidin-4-YL]amino}ethanol
CID 50981763
5-{4-[(4-Chlorobenzyl)amino]phenyl}-6-{[(2-fluoro-3-methylbenzyl)oxy]methyl}pyrimidine-2,4-diamine
CID 11248581
5-[4-[(4-Chlorophenyl)methylamino]phenyl]-6-[(4-fluorophenyl)methoxymethyl]pyrimidine-2,4-diamine
CID 11351728

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 63087865) is 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(COC)nc(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is YJSLZCPDKDDVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-16-12-6-9(7-19-2)17-13(18-12)8-3-4-11(15)10(14)5-8/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 281.72 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63087865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).