2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile

C15H23N5 — CID 65257940

IUPAC2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile
SMILESCC(C)(C#N)CCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H23N5/c1-15(2,13-16)5-3-8-19-9-11-20(12-10-19)14-17-6-4-7-18-14/h4,6-7H,3,5,8-12H2,1-2H3
InChIKeyAQHUKSGKGMCHDW-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.93
Rot. Bonds5

About 2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile

2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile (PubChem CID 65257940) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile
PubChem CID65257940
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile
SMILESCC(C)(C#N)CCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H23N5/c1-15(2,13-16)5-3-8-19-9-11-20(12-10-19)14-17-6-4-7-18-14/h4,6-7H,3,5,8-12H2,1-2H3
InChIKeyAQHUKSGKGMCHDW-UHFFFAOYSA-N
XLogP1.93
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile
CID 65257131
5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile
CID 65257938
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
CID 65257365
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066
tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate
CID 115580851

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile (CID 65257940) is 2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile is CC(C)(C#N)CCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile?
The InChIKey is AQHUKSGKGMCHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-15(2,13-16)5-3-8-19-9-11-20(12-10-19)14-17-6-4-7-18-14/h4,6-7H,3,5,8-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile?
2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile has a molecular weight of 273.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile is sourced from PubChem (CID 65257940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).