1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine

C14H15ClFN3 — CID 63022672

IUPAC1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1cc(C)nc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-9-6-10(8-17-2)19-14(18-9)7-11-12(15)4-3-5-13(11)16/h3-6,17H,7-8H2,1-2H3
InChIKeyQBQGNVSKNRRUNY-UHFFFAOYSA-N
MW279.75 g/mol
LogP2.89
Rot. Bonds4

About 1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine

1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine (PubChem CID 63022672) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
PubChem CID63022672
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1cc(C)nc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-9-6-10(8-17-2)19-14(18-9)7-11-12(15)4-3-5-13(11)16/h3-6,17H,7-8H2,1-2H3
InChIKeyQBQGNVSKNRRUNY-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-4-(chloromethyl)-6-methylpyrimidine
CID 63024051
2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 63023707
N-[[2-[(2,6-dichlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 62746219
2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 63022494
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63024195
2-(2-chloro-6-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503364
1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 62741909
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 82806244
2-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305117
N-[[2-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 63022499
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
CID 112683812
N-[[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63022131

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine (CID 63022672) is 1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine is CNCc1cc(C)nc(Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is QBQGNVSKNRRUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-9-6-10(8-17-2)19-14(18-9)7-11-12(15)4-3-5-13(11)16/h3-6,17H,7-8H2,1-2H3.
What are the key properties of 1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine?
1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 279.75 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63022672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).