4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine

C23H32N4O — CID 67606824

IUPAC4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine
SMILESCC(C)(C)c1cc(-c2ccnc(N3CCNCC3)n2)ccc1OC1CCCC1
InChIInChI=1S/C23H32N4O/c1-23(2,3)19-16-17(8-9-21(19)28-18-6-4-5-7-18)20-10-11-25-22(26-20)27-14-12-24-13-15-27/h8-11,16,18,24H,4-7,12-15H2,1-3H3
InChIKeyAKWLWBAQYAHJQW-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.17
Rot. Bonds4

About 4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine

4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine (PubChem CID 67606824) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine
PubChem CID67606824
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine
SMILESCC(C)(C)c1cc(-c2ccnc(N3CCNCC3)n2)ccc1OC1CCCC1
InChIInChI=1S/C23H32N4O/c1-23(2,3)19-16-17(8-9-21(19)28-18-6-4-5-7-18)20-10-11-25-22(26-20)27-14-12-24-13-15-27/h8-11,16,18,24H,4-7,12-15H2,1-3H3
InChIKeyAKWLWBAQYAHJQW-UHFFFAOYSA-N
XLogP4.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperidin-1-ylpyrimidine
CID 67606660
4-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-(3-methylpyrrolidin-1-yl)pyrimidine
CID 67632902
4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine
CID 96668438
N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline
CID 103278373
4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine
CID 103278364
4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride
CID 56830922
1-[4-(3-fluorophenyl)pyrimidin-2-yl]-1,4-diazepane
CID 103279542
1-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-diazepane
CID 143534246
4-(2-tert-butyl-4-fluorophenoxy)piperidine
CID 46941721
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
4-tert-butyl-N-[2-oxo-5-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyridin-3-yl]benzamide
CID 11510298
4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine
CID 82487669

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine (CID 67606824) is 4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine is CC(C)(C)c1cc(-c2ccnc(N3CCNCC3)n2)ccc1OC1CCCC1.
What is the InChIKey of 4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine?
The InChIKey is AKWLWBAQYAHJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-23(2,3)19-16-17(8-9-21(19)28-18-6-4-5-7-18)20-10-11-25-22(26-20)27-14-12-24-13-15-27/h8-11,16,18,24H,4-7,12-15H2,1-3H3.
What are the key properties of 4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine?
4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine has a molecular weight of 380.54 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-4-cyclopentyloxyphenyl)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 67606824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).