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

C14H15ClFN3O — CID 63022494

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C14H15ClFN3O/c1-17-13-6-9(8-20-2)18-14(19-13)7-10-11(15)4-3-5-12(10)16/h3-6H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyFYTNNEJZTMGEJU-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.05
Rot. Bonds5

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

2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 63022494) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID63022494
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C14H15ClFN3O/c1-17-13-6-9(8-20-2)18-14(19-13)7-10-11(15)4-3-5-12(10)16/h3-6H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyFYTNNEJZTMGEJU-UHFFFAOYSA-N
XLogP3.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62319495
4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine
CID 62319957
[2-[(2-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 55062115
1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 63022672
6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62319868
6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 55062684
2-[(2-chloro-6-fluorophenyl)methyl]-4-(chloromethyl)-6-methylpyrimidine
CID 63024051
6-(methoxymethyl)-N-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 55086950
N-[[2-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 63022499
6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 65143448
2-(3-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 55062778
4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107604540

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 63022494) is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(COC)nc(Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is FYTNNEJZTMGEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-17-13-6-9(8-20-2)18-14(19-13)7-10-11(15)4-3-5-12(10)16/h3-6H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 295.75 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63022494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).