4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine

C10H16N4O2S — CID 14838566

IUPAC4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCc1cc(N2CCN(S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C10H16N4O2S/c1-9-7-10(12-8-11-9)13-3-5-14(6-4-13)17(2,15)16/h7-8H,3-6H2,1-2H3
InChIKeyMAJFMJUKTOCCDU-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.13
Rot. Bonds2

About 4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine

4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 14838566) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID14838566
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCc1cc(N2CCN(S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C10H16N4O2S/c1-9-7-10(12-8-11-9)13-3-5-14(6-4-13)17(2,15)16/h7-8H,3-6H2,1-2H3
InChIKeyMAJFMJUKTOCCDU-UHFFFAOYSA-N
XLogP-0.13
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
N,N-dimethyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-sulfonamide
CID 9819260
2-Chloro-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 57840126
1-(6-Methylpyrimidin-4-yl)piperidin-3-amine
CID 54592599
N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 40104034
4-(4,5-dimethyl-1H-imidazol-1-yl)-6-(4-(methylsulfonyl)piperazin-1-yl)pyrimidine
CID 56919998
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807407
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)propane-1-sulfonamide
CID 71807408
N-((4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807438
2-[4-(1,1-Dioxidotetrahydro-3-thienyl)piperazin-1-yl]-4-methylpyrimidine
CID 72849895
N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide
CID 95808509
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 764932

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine (CID 14838566) is 4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine is Cc1cc(N2CCN(S(C)(=O)=O)CC2)ncn1.
What is the InChIKey of 4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is MAJFMJUKTOCCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-9-7-10(12-8-11-9)13-3-5-14(6-4-13)17(2,15)16/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 256.33 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 14838566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).