N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline

C15H19N3O2 — CID 43552231

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline
SMILESCOc1ncnc(OC)c1CNc1cccc(C)c1C
InChIInChI=1S/C15H19N3O2/c1-10-6-5-7-13(11(10)2)16-8-12-14(19-3)17-9-18-15(12)20-4/h5-7,9,16H,8H2,1-4H3
InChIKeyPNMRYJOZLGAOBU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.72
Rot. Bonds5

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline (PubChem CID 43552231) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline
PubChem CID43552231
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline
SMILESCOc1ncnc(OC)c1CNc1cccc(C)c1C
InChIInChI=1S/C15H19N3O2/c1-10-6-5-7-13(11(10)2)16-8-12-14(19-3)17-9-18-15(12)20-4/h5-7,9,16H,8H2,1-4H3
InChIKeyPNMRYJOZLGAOBU-UHFFFAOYSA-N
XLogP2.72
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine
CID 43730940
4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline
CID 107571772
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline
CID 43552216
2-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-6-fluoroaniline
CID 107597882
4-chloro-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-iodoaniline
CID 107631477
5-[(3-chloro-2-ethoxyanilino)methyl]-6-methoxypyrimidin-4-amine
CID 75515167
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
2,3-dimethyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437518
2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64773599
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline (CID 43552231) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline is COc1ncnc(OC)c1CNc1cccc(C)c1C.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline?
The InChIKey is PNMRYJOZLGAOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-6-5-7-13(11(10)2)16-8-12-14(19-3)17-9-18-15(12)20-4/h5-7,9,16H,8H2,1-4H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline has a molecular weight of 273.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline is sourced from PubChem (CID 43552231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).