2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine

C19H25N7O2S — CID 122342554

IUPAC2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
SMILESCc1nc(N2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C19H25N7O2S/c1-15(2)25-13-19(20-14-25)29(27,28)26-10-8-24(9-11-26)18-12-17(21-16(3)22-18)23-6-4-5-7-23/h4-7,12-15H,8-11H2,1-3H3
InChIKeyBKYMPFFGVMAPHY-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.86
Rot. Bonds5

About 2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine

2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine (PubChem CID 122342554) has the molecular formula C19H25N7O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
PubChem CID122342554
Molecular FormulaC19H25N7O2S
Molecular Weight415.52 g/mol
Exact Mass415.18
IUPAC Name2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
SMILESCc1nc(N2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C19H25N7O2S/c1-15(2)25-13-19(20-14-25)29(27,28)26-10-8-24(9-11-26)18-12-17(21-16(3)22-18)23-6-4-5-7-23/h4-7,12-15H,8-11H2,1-3H3
InChIKeyBKYMPFFGVMAPHY-UHFFFAOYSA-N
XLogP1.86
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122350088
4-(3-methylpyrazol-1-yl)-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122344938
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122337639
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrol-1-ylpyrimidine
CID 122342293
2-methyl-4-(4-propylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylpyrimidine
CID 71800080
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122338134
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-methyl-6-pyrrol-1-ylpyrimidine
CID 122342549
4-(4,5-dimethylimidazol-1-yl)-6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345271
2-methyl-4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337910
2-methyl-1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122342201
1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine
CID 126771185
6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122342567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine?
The IUPAC name of 2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine (CID 122342554) is 2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine?
The canonical SMILES for 2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine is Cc1nc(N2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(-n2cccc2)n1.
What is the InChIKey of 2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine?
The InChIKey is BKYMPFFGVMAPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2S/c1-15(2)25-13-19(20-14-25)29(27,28)26-10-8-24(9-11-26)18-12-17(21-16(3)22-18)23-6-4-5-7-23/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of 2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine?
2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine has a molecular weight of 415.52 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine is sourced from PubChem (CID 122342554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).