2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile

C11H16N4O2 — CID 107543844

IUPAC2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
SMILESCOCCN(CCOC)c1nccc(C#N)n1
InChIInChI=1S/C11H16N4O2/c1-16-7-5-15(6-8-17-2)11-13-4-3-10(9-12)14-11/h3-4H,5-8H2,1-2H3
InChIKeyLRYQYVPXFOXCKJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.45
Rot. Bonds7

About 2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile

2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107543844) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
PubChem CID107543844
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
SMILESCOCCN(CCOC)c1nccc(C#N)n1
InChIInChI=1S/C11H16N4O2/c1-16-7-5-15(6-8-17-2)11-13-4-3-10(9-12)14-11/h3-4H,5-8H2,1-2H3
InChIKeyLRYQYVPXFOXCKJ-UHFFFAOYSA-N
XLogP0.45
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile
CID 107544106
2-N,2-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 115978115
2-[bis(cyanomethyl)amino]pyrimidine-4-carbonitrile
CID 107543413
methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
CID 107544126
3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
CID 63286973
2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543890
2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107543783
6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 64587966
2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile
CID 163348210
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 107541800
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 79838651
2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile
CID 107544133

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile (CID 107543844) is 2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile is COCCN(CCOC)c1nccc(C#N)n1.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is LRYQYVPXFOXCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-16-7-5-15(6-8-17-2)11-13-4-3-10(9-12)14-11/h3-4H,5-8H2,1-2H3.
What are the key properties of 2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile?
2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 236.27 g/mol, XLogP of 0.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).