2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine

C15H22N4 — CID 11601325

IUPAC2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(C3CC4CCC3C4)CC2)nc1
InChIInChI=1S/C15H22N4/c1-4-16-15(17-5-1)19-8-6-18(7-9-19)14-11-12-2-3-13(14)10-12/h1,4-5,12-14H,2-3,6-11H2
InChIKeyOCUXVCQBAWIADX-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.79
Rot. Bonds2

About 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine

2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine (PubChem CID 11601325) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine
PubChem CID11601325
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(C3CC4CCC3C4)CC2)nc1
InChIInChI=1S/C15H22N4/c1-4-16-15(17-5-1)19-8-6-18(7-9-19)14-11-12-2-3-13(14)10-12/h1,4-5,12-14H,2-3,6-11H2
InChIKeyOCUXVCQBAWIADX-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227148
N-(2-bicyclo[2.2.1]heptanyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 4968180
N-(2-bicyclo[2.2.1]heptanyl)-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227179
N-(2-bicyclo[2.2.1]heptanyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227260
2-[4-(4-Methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 784284
Bicyclo[2.2.1]hept-2-yl-(4-piperazin-1-yl-pyrimidin-2-yl)-amine
CID 58227114
2-[4-(3-Methylcyclopentyl)piperazin-1-yl]pyrimidine
CID 2845194
8-(Cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449515
1-Ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 118742701
(3aR,7aS)-2-(cyclopropylmethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 127023616
2-[4-(2-Bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]pyrimidine
CID 11587119
2-[4-(4-Ethylcyclohexyl)piperazin-1-yl]pyrimidine
CID 5143216

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine (CID 11601325) is 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine is c1cnc(N2CCN(C3CC4CCC3C4)CC2)nc1.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine?
The InChIKey is OCUXVCQBAWIADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-16-15(17-5-1)19-8-6-18(7-9-19)14-11-12-2-3-13(14)10-12/h1,4-5,12-14H,2-3,6-11H2.
What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine?
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine has a molecular weight of 258.37 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 11601325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).