4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine

C10H16N4O3S — CID 27306376

IUPAC4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCOc1ccnc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H16N4O3S/c1-17-9-3-4-11-10(12-9)13-5-7-14(8-6-13)18(2,15)16/h3-4H,5-8H2,1-2H3
InChIKeyAHFCLLKNPXXHOX-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.43
Rot. Bonds3

About 4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine

4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 27306376) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID27306376
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
SMILESCOc1ccnc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H16N4O3S/c1-17-9-3-4-11-10(12-9)13-5-7-14(8-6-13)18(2,15)16/h3-4H,5-8H2,1-2H3
InChIKeyAHFCLLKNPXXHOX-UHFFFAOYSA-N
XLogP-0.43
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-Dimethoxypyrimidine
CID 137976
4-Methoxy-2-(piperazin-1-yl)pyrimidine
CID 11480987
4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 25269752
4-Ethoxy-2-(piperazin-1-yl)pyrimidine
CID 17855548
[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 26034925
4-Ethoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine
CID 53592762
4-[2-[4-(4-Methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]ethyl]morpholine
CID 172437570
4-methoxy-N,N-dimethylpyrimidin-2-amine
CID 12229622
Sodium 4-methoxypyrimidine-2-sulfinate
CID 137951656
Tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate
CID 8852576
4-(4-(Butylsulfonyl)piperazin-1-yl)-2,6-dimethoxypyrimidine
CID 42154896
4-(2,6-dimethoxypyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 54500605

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine (CID 27306376) is 4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine is COc1ccnc(N2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is AHFCLLKNPXXHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-17-9-3-4-11-10(12-9)13-5-7-14(8-6-13)18(2,15)16/h3-4H,5-8H2,1-2H3.
What are the key properties of 4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine?
4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 272.33 g/mol, XLogP of -0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 27306376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).