2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile

C8H10N4O — CID 107543783

IUPAC2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
SMILESCN(CCO)c1nccc(C#N)n1
InChIInChI=1S/C8H10N4O/c1-12(4-5-13)8-10-3-2-7(6-9)11-8/h2-3,13H,4-5H2,1H3
InChIKeyONWYDFRTBJLABP-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.22
Rot. Bonds3

About 2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile

2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107543783) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
PubChem CID107543783
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
SMILESCN(CCO)c1nccc(C#N)n1
InChIInChI=1S/C8H10N4O/c1-12(4-5-13)8-10-3-2-7(6-9)11-8/h2-3,13H,4-5H2,1H3
InChIKeyONWYDFRTBJLABP-UHFFFAOYSA-N
XLogP-0.22
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile
CID 163348210
2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile
CID 107544982
2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107544379
ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
CID 107544034
2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
CID 107543844
2-[bis(cyanomethyl)amino]pyrimidine-4-carbonitrile
CID 107543413
6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173820
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid
CID 107542879
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetamide
CID 107545435
methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
CID 107544126
2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile
CID 107544133
4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
CID 62926432

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile (CID 107543783) is 2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile is CN(CCO)c1nccc(C#N)n1.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is ONWYDFRTBJLABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-12(4-5-13)8-10-3-2-7(6-9)11-8/h2-3,13H,4-5H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile?
2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).