4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine

C22H33N7 — CID 171429593

IUPAC4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESCc1ccc(N2CCN(c3cc(N4CCN(C(C)(C)C)CC4)ncn3)CC2)nc1
InChIInChI=1S/C22H33N7/c1-18-5-6-19(23-16-18)26-7-9-27(10-8-26)20-15-21(25-17-24-20)28-11-13-29(14-12-28)22(2,3)4/h5-6,15-17H,7-14H2,1-4H3
InChIKeyHMIYMPCVAHWUHM-UHFFFAOYSA-N
MW395.56 g/mol
LogP2.43
Rot. Bonds3

About 4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine

4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine (PubChem CID 171429593) has the molecular formula C22H33N7 and a molecular weight of 395.56 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
PubChem CID171429593
Molecular FormulaC22H33N7
Molecular Weight395.56 g/mol
Exact Mass395.28
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESCc1ccc(N2CCN(c3cc(N4CCN(C(C)(C)C)CC4)ncn3)CC2)nc1
InChIInChI=1S/C22H33N7/c1-18-5-6-19(23-16-18)26-7-9-27(10-8-26)20-15-21(25-17-24-20)28-11-13-29(14-12-28)22(2,3)4/h5-6,15-17H,7-14H2,1-4H3
InChIKeyHMIYMPCVAHWUHM-UHFFFAOYSA-N
XLogP2.43
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.56
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine (CID 171429593) is 4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine is Cc1ccc(N2CCN(c3cc(N4CCN(C(C)(C)C)CC4)ncn3)CC2)nc1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine?
The InChIKey is HMIYMPCVAHWUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7/c1-18-5-6-19(23-16-18)26-7-9-27(10-8-26)20-15-21(25-17-24-20)28-11-13-29(14-12-28)22(2,3)4/h5-6,15-17H,7-14H2,1-4H3.
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine?
4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine has a molecular weight of 395.56 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171429593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).