4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine

C17H24N4O2S2 — CID 99844030

IUPAC4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine
SMILESCC(C)c1ccnc(N2CCN(S(=O)(=O)CCc3cccs3)CC2)n1
InChIInChI=1S/C17H24N4O2S2/c1-14(2)16-5-7-18-17(19-16)20-8-10-21(11-9-20)25(22,23)13-6-15-4-3-12-24-15/h3-5,7,12,14H,6,8-11,13H2,1-2H3
InChIKeyZOBWFOITMKTHSN-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.36
Rot. Bonds6

About 4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine

4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine (PubChem CID 99844030) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine
PubChem CID99844030
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine
SMILESCC(C)c1ccnc(N2CCN(S(=O)(=O)CCc3cccs3)CC2)n1
InChIInChI=1S/C17H24N4O2S2/c1-14(2)16-5-7-18-17(19-16)20-8-10-21(11-9-20)25(22,23)13-6-15-4-3-12-24-15/h3-5,7,12,14H,6,8-11,13H2,1-2H3
InChIKeyZOBWFOITMKTHSN-UHFFFAOYSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Methyl-1-piperazinyl)-4-(3-thienyl)pyrimidine
CID 10753846
N-(2-(dimethylamino)ethyl)-4-(4-(thiophen-3-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 46890320
N-(3-(dimethylamino)propyl)-4-(4-(thiophen-3-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 46890387
2-[(2R)-4-(3-methylsulfonylphenyl)-2-propan-2-ylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 127049313
N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
CID 9633938
N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 2998791
2-(4-Methyl-piperazin-1-yl)-4-thiophen-2-yl-pyrimidine
CID 10422737
2-(4-ethylpiperazin-1-yl)-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 16028159
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-thiophen-2-ylpyrimidin-2-amine
CID 44325063
4-(4-(Thiophen-3-yl)pyrimidin-2-ylamino)benzenesulfonamide
CID 46890318
4-(Methyl(4-(5-methylthiophen-2-yl)pyrimidin-2-yl)amino)benzenesulfonamide
CID 44550927
(5S)-5-[3-fluoro-5-(2-pyrimidin-5-yl-4-pyridinyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 74221647

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine (CID 99844030) is 4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine is CC(C)c1ccnc(N2CCN(S(=O)(=O)CCc3cccs3)CC2)n1.
What is the InChIKey of 4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine?
The InChIKey is ZOBWFOITMKTHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-14(2)16-5-7-18-17(19-16)20-8-10-21(11-9-20)25(22,23)13-6-15-4-3-12-24-15/h3-5,7,12,14H,6,8-11,13H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine?
4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine has a molecular weight of 380.54 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[4-(2-thiophen-2-ylethylsulfonyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 99844030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).