4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine

C16H28N4 — CID 174589543

IUPAC4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine
SMILESCC(C)(C)C1NCCN(c2ccncn2)C1C(C)(C)C
InChIInChI=1S/C16H28N4/c1-15(2,3)13-14(16(4,5)6)20(10-9-18-13)12-7-8-17-11-19-12/h7-8,11,13-14,18H,9-10H2,1-6H3
InChIKeyNVSDDELMOUWQSV-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.72
Rot. Bonds1

About 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine

4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine (PubChem CID 174589543) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine
PubChem CID174589543
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine
SMILESCC(C)(C)C1NCCN(c2ccncn2)C1C(C)(C)C
InChIInChI=1S/C16H28N4/c1-15(2,3)13-14(16(4,5)6)20(10-9-18-13)12-7-8-17-11-19-12/h7-8,11,13-14,18H,9-10H2,1-6H3
InChIKeyNVSDDELMOUWQSV-UHFFFAOYSA-N
XLogP2.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine (CID 174589543) is 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine is CC(C)(C)C1NCCN(c2ccncn2)C1C(C)(C)C.
What is the InChIKey of 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine?
The InChIKey is NVSDDELMOUWQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-15(2,3)13-14(16(4,5)6)20(10-9-18-13)12-7-8-17-11-19-12/h7-8,11,13-14,18H,9-10H2,1-6H3.
What are the key properties of 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine?
4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine has a molecular weight of 276.43 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 174589543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).