4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine

C18H25N5 — CID 155901264

IUPAC4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCN1CCN(c2cc(C(C)(C)C)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C18H25N5/c1-18(2,3)15-13-16(23-11-9-22(4)10-12-23)21-17(20-15)14-7-5-6-8-19-14/h5-8,13H,9-12H2,1-4H3
InChIKeyBUIQMBXSZXGMSL-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.59
Rot. Bonds2

About 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine

4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine (PubChem CID 155901264) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
PubChem CID155901264
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCN1CCN(c2cc(C(C)(C)C)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C18H25N5/c1-18(2,3)15-13-16(23-11-9-22(4)10-12-23)21-17(20-15)14-7-5-6-8-19-14/h5-8,13H,9-12H2,1-4H3
InChIKeyBUIQMBXSZXGMSL-UHFFFAOYSA-N
XLogP2.59
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine (CID 155901264) is 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine is CN1CCN(c2cc(C(C)(C)C)nc(-c3ccccn3)n2)CC1.
What is the InChIKey of 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The InChIKey is BUIQMBXSZXGMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-18(2,3)15-13-16(23-11-9-22(4)10-12-23)21-17(20-15)14-7-5-6-8-19-14/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine has a molecular weight of 311.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 155901264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).