(4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H24N4O — CID 2364807

IUPAC(4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H24N4O/c1-19(2,3)16-7-5-15(6-8-16)17(24)22-11-13-23(14-12-22)18-20-9-4-10-21-18/h4-10H,11-14H2,1-3H3
InChIKeyOYXFKXOFMPSRBO-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.74
Rot. Bonds2

About (4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 2364807) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID2364807
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H24N4O/c1-19(2,3)16-7-5-15(6-8-16)17(24)22-11-13-23(14-12-22)18-20-9-4-10-21-18/h4-10H,11-14H2,1-3H3
InChIKeyOYXFKXOFMPSRBO-UHFFFAOYSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 2364807) is (4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CC(C)(C)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is OYXFKXOFMPSRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-19(2,3)16-7-5-15(6-8-16)17(24)22-11-13-23(14-12-22)18-20-9-4-10-21-18/h4-10H,11-14H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2364807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).