2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile

C11H16N4O — CID 107848947

IUPAC2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCCCCCCO)n1
InChIInChI=1S/C11H16N4O/c12-9-10-5-7-14-11(15-10)13-6-3-1-2-4-8-16/h5,7,16H,1-4,6,8H2,(H,13,14,15)
InChIKeyKXZDDBRMUKMJJV-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.31
Rot. Bonds7

About 2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile

2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile (PubChem CID 107848947) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile
PubChem CID107848947
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCCCCCCO)n1
InChIInChI=1S/C11H16N4O/c12-9-10-5-7-14-11(15-10)13-6-3-1-2-4-8-16/h5,7,16H,1-4,6,8H2,(H,13,14,15)
InChIKeyKXZDDBRMUKMJJV-UHFFFAOYSA-N
XLogP1.31
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid
CID 107542986
2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile
CID 107544340
2-[(5-hydroxy-4-methylpentyl)amino]pyrimidine-4-carbonitrile
CID 106158675
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
CID 107545274
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580
2-[3-(2-methylpropoxy)propylamino]pyrimidine-4-carbonitrile
CID 114097995
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
CID 107544548
2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile
CID 106034899
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
CID 107544497

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile (CID 107848947) is 2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile is N#Cc1ccnc(NCCCCCCO)n1.
What is the InChIKey of 2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile?
The InChIKey is KXZDDBRMUKMJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-9-10-5-7-14-11(15-10)13-6-3-1-2-4-8-16/h5,7,16H,1-4,6,8H2,(H,13,14,15).
What are the key properties of 2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile?
2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107848947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).