1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine

C14H16ClN3O2 — CID 43552155

IUPAC1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine
SMILESCOc1ncnc(OC)c1CNCc1ccccc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-19-13-11(14(20-2)18-9-17-13)8-16-7-10-5-3-4-6-12(10)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyPTKRVTKKJYXMEL-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.44
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine

1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine (PubChem CID 43552155) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine
PubChem CID43552155
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine
SMILESCOc1ncnc(OC)c1CNCc1ccccc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-19-13-11(14(20-2)18-9-17-13)8-16-7-10-5-3-4-6-12(10)15/h3-6,9,16H,7-8H2,1-2H3
InChIKeyPTKRVTKKJYXMEL-UHFFFAOYSA-N
XLogP2.44
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 43552162
1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 43234562
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine
CID 43552093
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 43220575
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895038
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 66537190
1-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54849395
1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
CID 4715632

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine (CID 43552155) is 1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine is COc1ncnc(OC)c1CNCc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine?
The InChIKey is PTKRVTKKJYXMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-19-13-11(14(20-2)18-9-17-13)8-16-7-10-5-3-4-6-12(10)15/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine?
1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine has a molecular weight of 293.75 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 43552155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).