2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile

C13H20N6O — CID 136973053

IUPAC2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C13H20N6O/c1-2-3-10(8-14)18-4-6-19(7-5-18)12-11(15)13(20)17-9-16-12/h9-10H,2-7,15H2,1H3,(H,16,17,20)
InChIKeyUZEAAPPXIDKSTE-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.17
Rot. Bonds4

About 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile

2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile (PubChem CID 136973053) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile
PubChem CID136973053
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C13H20N6O/c1-2-3-10(8-14)18-4-6-19(7-5-18)12-11(15)13(20)17-9-16-12/h9-10H,2-7,15H2,1H3,(H,16,17,20)
InChIKeyUZEAAPPXIDKSTE-UHFFFAOYSA-N
XLogP0.17
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile
CID 114570663
5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009406
5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136958154
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile
CID 103582224
5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135575716
2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile
CID 63343860
5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136978310
5-amino-4-[3-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136972878
2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile
CID 63343858
5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822013
4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972692
5-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135575715

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile (CID 136973053) is 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile?
The InChIKey is UZEAAPPXIDKSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-2-3-10(8-14)18-4-6-19(7-5-18)12-11(15)13(20)17-9-16-12/h9-10H,2-7,15H2,1H3,(H,16,17,20).
What are the key properties of 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile?
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile has a molecular weight of 276.34 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 136973053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).