4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine

C19H27N5O2S — CID 133360459

IUPAC4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCN(c3ccc(S(=O)(=O)C(C)(C)C)nc3)CC2)nc(C)n1
InChIInChI=1S/C19H27N5O2S/c1-14-12-17(22-15(2)21-14)24-10-8-23(9-11-24)16-6-7-18(20-13-16)27(25,26)19(3,4)5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyFRRQEDWVFBRXNK-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.39
Rot. Bonds3

About 4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine

4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine (PubChem CID 133360459) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine
PubChem CID133360459
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCN(c3ccc(S(=O)(=O)C(C)(C)C)nc3)CC2)nc(C)n1
InChIInChI=1S/C19H27N5O2S/c1-14-12-17(22-15(2)21-14)24-10-8-23(9-11-24)16-6-7-18(20-13-16)27(25,26)19(3,4)5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyFRRQEDWVFBRXNK-UHFFFAOYSA-N
XLogP2.39
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
5-[4-(2-tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine
CID 56793797
2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine
CID 133359969
4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine
CID 163356432
6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridin-3-amine
CID 60922049
2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
CID 138020046
[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 133360026
N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360362
2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 133417213
2,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidine
CID 126823467
2-tert-butylsulfonyl-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine
CID 133453237
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine?
The IUPAC name of 4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine (CID 133360459) is 4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine is Cc1cc(N2CCN(c3ccc(S(=O)(=O)C(C)(C)C)nc3)CC2)nc(C)n1.
What is the InChIKey of 4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine?
The InChIKey is FRRQEDWVFBRXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-14-12-17(22-15(2)21-14)24-10-8-23(9-11-24)16-6-7-18(20-13-16)27(25,26)19(3,4)5/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of 4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine?
4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine has a molecular weight of 389.53 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-2,6-dimethylpyrimidine is sourced from PubChem (CID 133360459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).