4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine

C16H21N7 — CID 112855694

IUPAC4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
SMILESc1cnc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)nc1
InChIInChI=1S/C16H21N7/c1-2-7-21(6-1)14-12-15(20-13-19-14)22-8-10-23(11-9-22)16-17-4-3-5-18-16/h3-5,12-13H,1-2,6-11H2
InChIKeyPXUPJUUAHZJSRQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.19
Rot. Bonds3

About 4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine

4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine (PubChem CID 112855694) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
PubChem CID112855694
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
SMILESc1cnc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)nc1
InChIInChI=1S/C16H21N7/c1-2-7-21(6-1)14-12-15(20-13-19-14)22-8-10-23(11-9-22)16-17-4-3-5-18-16/h3-5,12-13H,1-2,6-11H2
InChIKeyPXUPJUUAHZJSRQ-UHFFFAOYSA-N
XLogP1.19
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 172891083
4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858250
butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 171070118
N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
CID 10358975
N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 166601217
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112879979
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
ethyl 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112862923
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine (CID 112855694) is 4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine is c1cnc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)nc1.
What is the InChIKey of 4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is PXUPJUUAHZJSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-2-7-21(6-1)14-12-15(20-13-19-14)22-8-10-23(11-9-22)16-17-4-3-5-18-16/h3-5,12-13H,1-2,6-11H2.
What are the key properties of 4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 311.39 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 112855694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).