2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile

C8H10N4O — CID 107553088

IUPAC2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile
SMILESCNCCOc1nccc(C#N)n1
InChIInChI=1S/C8H10N4O/c1-10-4-5-13-8-11-3-2-7(6-9)12-8/h2-3,10H,4-5H2,1H3
InChIKeyZTKMPROPFLPENL-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.05
Rot. Bonds4

About 2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile

2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile (PubChem CID 107553088) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile
PubChem CID107553088
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile
SMILESCNCCOc1nccc(C#N)n1
InChIInChI=1S/C8H10N4O/c1-10-4-5-13-8-11-3-2-7(6-9)12-8/h2-3,10H,4-5H2,1H3
InChIKeyZTKMPROPFLPENL-UHFFFAOYSA-N
XLogP-0.05
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile
CID 107553105
2-ethoxypyrimidine-4-carbonitrile
CID 107545589
2-hexoxypyrimidine-4-carbonitrile
CID 107545762
2-[3-(benzylamino)propoxy]pyrimidine-4-carbonitrile
CID 107553157
2-prop-2-enoxypyrimidine-4-carbonitrile
CID 107545771
2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile
CID 107545734
2-butan-2-yloxypyrimidine-4-carbonitrile
CID 107545828
2-[3-(2-methylpropoxy)propylamino]pyrimidine-4-carbonitrile
CID 114097995
4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63880788
4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride
CID 146277545
2-(4-cyanophenoxy)pyrimidine-4-carbonitrile
CID 107545693
2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile
CID 107546099

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile (CID 107553088) is 2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile is CNCCOc1nccc(C#N)n1.
What is the InChIKey of 2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile?
The InChIKey is ZTKMPROPFLPENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-10-4-5-13-8-11-3-2-7(6-9)12-8/h2-3,10H,4-5H2,1H3.
What are the key properties of 2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile?
2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107553088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).