5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine

C14H17N3O2 — CID 116977083

IUPAC5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(-c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C14H17N3O2/c1-4-15-14-16-8-11(9-17-14)10-5-6-12(18-2)13(7-10)19-3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyTYNHMFBUICXXGO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.59
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine

5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine (PubChem CID 116977083) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
PubChem CID116977083
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(-c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C14H17N3O2/c1-4-15-14-16-8-11(9-17-14)10-5-6-12(18-2)13(7-10)19-3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyTYNHMFBUICXXGO-UHFFFAOYSA-N
XLogP2.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 116977086
5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 163343919
2-(3,4-dimethoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66301892
N-ethyl-4-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-2-amine
CID 80881136
3-[[5-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]amino]propanenitrile
CID 116975700
O-ethyl 2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethanethioate
CID 139994195
5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10149230
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine
CID 114273065
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116
N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine
CID 103278941
4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
CID 142928408

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine (CID 116977083) is 5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine is CCNc1ncc(-c2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine?
The InChIKey is TYNHMFBUICXXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-15-14-16-8-11(9-17-14)10-5-6-12(18-2)13(7-10)19-3/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine?
5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 116977083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).