2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline

C14H17N3O2 — CID 54248163

IUPAC2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline
SMILESCOc1cc(OC)nc(C(C)c2ccccc2N)n1
InChIInChI=1S/C14H17N3O2/c1-9(10-6-4-5-7-11(10)15)14-16-12(18-2)8-13(17-14)19-3/h4-9H,15H2,1-3H3
InChIKeyQUUNEELSGDEIGH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.23
Rot. Bonds4

About 2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline

2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline (PubChem CID 54248163) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline
PubChem CID54248163
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline
SMILESCOc1cc(OC)nc(C(C)c2ccccc2N)n1
InChIInChI=1S/C14H17N3O2/c1-9(10-6-4-5-7-11(10)15)14-16-12(18-2)8-13(17-14)19-3/h4-9H,15H2,1-3H3
InChIKeyQUUNEELSGDEIGH-UHFFFAOYSA-N
XLogP2.23
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline
CID 139791749
(2-amino-6-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanol
CID 139791759
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
CID 43517247
2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 19801417
2-[1-(4,6-dimethoxypyrimidin-2-yl)-2-methoxy-2-oxoethyl]benzoic acid
CID 134126172
5-chloro-2-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]aniline
CID 67350572
N-[2-(1-chloroethyl)phenyl]-4,6-dimethoxypyrimidin-2-amine
CID 115355729
2-(1-trimethylsilylethyl)aniline
CID 11052509
2-methoxyquinolin-4-amine;hydrochloride
CID 126782028
2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 19801415
6-[(4,6-dimethoxypyrimidin-2-yl)-fluoromethyl]-2,3-difluoroaniline
CID 67350155

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline?
The IUPAC name of 2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline (CID 54248163) is 2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline.
What is the SMILES notation for 2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline?
The canonical SMILES for 2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline is COc1cc(OC)nc(C(C)c2ccccc2N)n1.
What is the InChIKey of 2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline?
The InChIKey is QUUNEELSGDEIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(10-6-4-5-7-11(10)15)14-16-12(18-2)8-13(17-14)19-3/h4-9H,15H2,1-3H3.
What are the key properties of 2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline?
2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline has a molecular weight of 259.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline is sourced from PubChem (CID 54248163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).