4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine

C16H22N4O2S2 — CID 26539778

IUPAC4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine
SMILESCc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H22N4O2S2/c1-12(2)16-17-13(3)11-14(18-16)19-6-8-20(9-7-19)24(21,22)15-5-4-10-23-15/h4-5,10-12H,6-9H2,1-3H3
InChIKeyQOWZOSHABZSNHP-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.48
Rot. Bonds4

About 4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine

4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 26539778) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID26539778
Molecular FormulaC16H22N4O2S2
Molecular Weight366.51 g/mol
Exact Mass366.12
IUPAC Name4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine
SMILESCc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H22N4O2S2/c1-12(2)16-17-13(3)11-14(18-16)19-6-8-20(9-7-19)24(21,22)15-5-4-10-23-15/h4-5,10-12H,6-9H2,1-3H3
InChIKeyQOWZOSHABZSNHP-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 26539789
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 17455626
4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 39626348
1-(2-methyl-6-propan-2-ylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 113076455
6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 26539800
3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 31669952
5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 30750607
[1-(benzenesulfonyl)piperidin-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 26953676
2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643444
1-[5-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 26539804
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 71807412
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 154838772

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine (CID 26539778) is 4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine is Cc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(C(C)C)n1.
What is the InChIKey of 4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is QOWZOSHABZSNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c1-12(2)16-17-13(3)11-14(18-16)19-6-8-20(9-7-19)24(21,22)15-5-4-10-23-15/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine?
4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 366.51 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 26539778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).