3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile

C14H14N4O — CID 106951523

IUPAC3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile
SMILESCCNc1cc(-c2cc(C#N)ccc2OC)ncn1
InChIInChI=1S/C14H14N4O/c1-3-16-14-7-12(17-9-18-14)11-6-10(8-15)4-5-13(11)19-2/h4-7,9H,3H2,1-2H3,(H,16,17,18)
InChIKeyMUUMPYMWIYUQMM-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.46
Rot. Bonds4

About 3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile

3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile (PubChem CID 106951523) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile.

Molecular Properties

Compound Name3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile
PubChem CID106951523
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile
SMILESCCNc1cc(-c2cc(C#N)ccc2OC)ncn1
InChIInChI=1S/C14H14N4O/c1-3-16-14-7-12(17-9-18-14)11-6-10(8-15)4-5-13(11)19-2/h4-7,9H,3H2,1-2H3,(H,16,17,18)
InChIKeyMUUMPYMWIYUQMM-UHFFFAOYSA-N
XLogP2.46
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80866910
N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 82812222
4-[[6-(ethylamino)-2-pyridinyl]oxy]-3-methoxybenzonitrile
CID 80863266
4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile
CID 103058089
N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 69178153
N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine
CID 114270502
4-methoxy-3-[2-(methylamino)pyrimidin-4-yl]benzonitrile
CID 106951518
3-(6-chloro-5-methoxypyrimidin-4-yl)-4-methoxybenzonitrile
CID 106951422
3-(6-bromo-2-pyridinyl)-4-methoxybenzonitrile
CID 106951430
4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
CID 79244990
4-methoxy-3-[3-(methylamino)pyrazin-2-yl]benzonitrile
CID 106951570
3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile
CID 107660576

Frequently Asked Questions

What is the IUPAC name of 3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile?
The IUPAC name of 3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile (CID 106951523) is 3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile.
What is the SMILES notation for 3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile?
The canonical SMILES for 3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile is CCNc1cc(-c2cc(C#N)ccc2OC)ncn1.
What is the InChIKey of 3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile?
The InChIKey is MUUMPYMWIYUQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-16-14-7-12(17-9-18-14)11-6-10(8-15)4-5-13(11)19-2/h4-7,9H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile?
3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile is sourced from PubChem (CID 106951523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).