2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine

C20H31N7O2S — CID 122340757

IUPAC2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)n1
InChIInChI=1S/C20H31N7O2S/c1-15-20(16(2)24(4)23-15)30(28,29)27-12-10-26(11-13-27)19-14-18(21-17(3)22-19)25-8-6-5-7-9-25/h14H,5-13H2,1-4H3
InChIKeyCEVBSUUAFUUNRO-UHFFFAOYSA-N
MW433.58 g/mol
LogP1.64
Rot. Bonds4

About 2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine

2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 122340757) has the molecular formula C20H31N7O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID122340757
Molecular FormulaC20H31N7O2S
Molecular Weight433.58 g/mol
Exact Mass433.23
IUPAC Name2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)n1
InChIInChI=1S/C20H31N7O2S/c1-15-20(16(2)24(4)23-15)30(28,29)27-12-10-26(11-13-27)19-14-18(21-17(3)22-19)25-8-6-5-7-9-25/h14H,5-13H2,1-4H3
InChIKeyCEVBSUUAFUUNRO-UHFFFAOYSA-N
XLogP1.64
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 19682868
4-(4,5-dimethylimidazol-1-yl)-6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345269
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine
CID 20896403
4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122340632
4-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 20896378
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 20896377
1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 55428799
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 50947923
2-methyl-4-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 20896411
4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 90586561
1-[3-(trifluoromethyl)phenyl]-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19682890
1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepane
CID 43361719

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine (CID 122340757) is 2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine is Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)n1.
What is the InChIKey of 2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is CEVBSUUAFUUNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O2S/c1-15-20(16(2)24(4)23-15)30(28,29)27-12-10-26(11-13-27)19-14-18(21-17(3)22-19)25-8-6-5-7-9-25/h14H,5-13H2,1-4H3.
What are the key properties of 2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine?
2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 433.58 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-yl-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 122340757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).