6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile

C8H10N4O — CID 130173820

IUPAC6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
SMILESCN(CCO)c1cc(C#N)ncn1
InChIInChI=1S/C8H10N4O/c1-12(2-3-13)8-4-7(5-9)10-6-11-8/h4,6,13H,2-3H2,1H3
InChIKeyJOELBEDXRHALOQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.22
Rot. Bonds3

About 6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile

6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile (PubChem CID 130173820) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
PubChem CID130173820
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
SMILESCN(CCO)c1cc(C#N)ncn1
InChIInChI=1S/C8H10N4O/c1-12(2-3-13)8-4-7(5-9)10-6-11-8/h4,6,13H,2-3H2,1H3
InChIKeyJOELBEDXRHALOQ-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

6-[1-hydroxypropan-2-yl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173875
6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
CID 115142979
2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973430
6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile
CID 115142786
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143001
6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 115143006
6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143016
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142996
6-[(3-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143017
6-[ethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 130173843
2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107543783

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile (CID 130173820) is 6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile is CN(CCO)c1cc(C#N)ncn1.
What is the InChIKey of 6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is JOELBEDXRHALOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-12(2-3-13)8-4-7(5-9)10-6-11-8/h4,6,13H,2-3H2,1H3.
What are the key properties of 6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile?
6-[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 6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 130173820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).