(4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone

C22H30N4O — CID 4079517

IUPAC(4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(C)c(C)c(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1
InChIInChI=1S/C22H30N4O/c1-15-16(2)23-17(3)24-20(15)25-11-13-26(14-12-25)21(27)18-7-9-19(10-8-18)22(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeyWKONEEWXUJIJCH-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.66
Rot. Bonds2

About (4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone

(4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 4079517) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID4079517
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(C)c(C)c(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1
InChIInChI=1S/C22H30N4O/c1-15-16(2)23-17(3)24-20(15)25-11-13-26(14-12-25)21(27)18-7-9-19(10-8-18)22(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeyWKONEEWXUJIJCH-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylphenyl)-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 4667570
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(4-tert-butylphenyl)-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 3384471
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
(4-tert-butylphenyl)-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7216299
(4-tert-butylphenyl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342214
3,3-dimethyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 814778
2,2-dichloro-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 814898
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320
2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4677117
(4-tert-butylphenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506399
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 4079517) is (4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(C)c(C)c(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1.
What is the InChIKey of (4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is WKONEEWXUJIJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-15-16(2)23-17(3)24-20(15)25-11-13-26(14-12-25)21(27)18-7-9-19(10-8-18)22(4,5)6/h7-10H,11-14H2,1-6H3.
What are the key properties of (4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
(4-tert-butylphenyl)-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.66, 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-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 4079517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).