2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile

C10H14N4O — CID 107545274

IUPAC2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
SMILESCCC(O)CCNc1nccc(C#N)n1
InChIInChI=1S/C10H14N4O/c1-2-9(15)4-6-13-10-12-5-3-8(7-11)14-10/h3,5,9,15H,2,4,6H2,1H3,(H,12,13,14)
InChIKeyFRIXONMRIDHVSV-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.92
Rot. Bonds5

About 2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile

2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile (PubChem CID 107545274) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
PubChem CID107545274
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
SMILESCCC(O)CCNc1nccc(C#N)n1
InChIInChI=1S/C10H14N4O/c1-2-9(15)4-6-13-10-12-5-3-8(7-11)14-10/h3,5,9,15H,2,4,6H2,1H3,(H,12,13,14)
InChIKeyFRIXONMRIDHVSV-UHFFFAOYSA-N
XLogP0.92
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545273
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
2-[(5-hydroxy-4-methylpentyl)amino]pyrimidine-4-carbonitrile
CID 106158675
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyrimidine-4-carbonitrile
CID 107552093
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile
CID 107848947
2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile
CID 107544340
5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid
CID 107542986
(2S)-2-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 167798650
2-[3-(2-methylpropoxy)propylamino]pyrimidine-4-carbonitrile
CID 114097995
2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545092

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile (CID 107545274) is 2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile is CCC(O)CCNc1nccc(C#N)n1.
What is the InChIKey of 2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile?
The InChIKey is FRIXONMRIDHVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-9(15)4-6-13-10-12-5-3-8(7-11)14-10/h3,5,9,15H,2,4,6H2,1H3,(H,12,13,14).
What are the key properties of 2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile?
2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).