2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile

C9H12N4O2 — CID 107544340

IUPAC2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCCOCCO)n1
InChIInChI=1S/C9H12N4O2/c10-7-8-1-2-11-9(13-8)12-3-5-15-6-4-14/h1-2,14H,3-6H2,(H,11,12,13)
InChIKeyMTAKHXHNQHGTAR-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.23
Rot. Bonds6

About 2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile

2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile (PubChem CID 107544340) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile
PubChem CID107544340
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCCOCCO)n1
InChIInChI=1S/C9H12N4O2/c10-7-8-1-2-11-9(13-8)12-3-5-15-6-4-14/h1-2,14H,3-6H2,(H,11,12,13)
InChIKeyMTAKHXHNQHGTAR-UHFFFAOYSA-N
XLogP-0.23
TPSA91.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile
CID 107848947
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
CID 107544548
2-[3-(2-methylpropoxy)propylamino]pyrimidine-4-carbonitrile
CID 114097995
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-[(5-hydroxy-4-methylpentyl)amino]pyrimidine-4-carbonitrile
CID 106158675
2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
CID 107545274
5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid
CID 107542986
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyrimidine-4-carbonitrile
CID 106254224
2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile
CID 106034899
2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid
CID 107543189
2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
CID 107544497
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile (CID 107544340) is 2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile is N#Cc1ccnc(NCCOCCO)n1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile?
The InChIKey is MTAKHXHNQHGTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-7-8-1-2-11-9(13-8)12-3-5-15-6-4-14/h1-2,14H,3-6H2,(H,11,12,13).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile?
2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile has a molecular weight of 208.22 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).