4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine

C12H18N4O2S — CID 71795093

IUPAC4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine
SMILESCc1cncnc1N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C12H18N4O2S/c1-10-8-13-9-14-12(10)15-4-6-16(7-5-15)19(17,18)11-2-3-11/h8-9,11H,2-7H2,1H3
InChIKeyXDDRIDFZPIKDEV-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.40
Rot. Bonds3

About 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine

4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine (PubChem CID 71795093) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine
PubChem CID71795093
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine
SMILESCc1cncnc1N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C12H18N4O2S/c1-10-8-13-9-14-12(10)15-4-6-16(7-5-15)19(17,18)11-2-3-11/h8-9,11H,2-7H2,1H3
InChIKeyXDDRIDFZPIKDEV-UHFFFAOYSA-N
XLogP0.40
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(Methylsulfonyl)-1-piperazinyl]pyrimidine
CID 841759
(E)-3-(5-Methyl-2-pyrimidinyl)-2-butene-2-sulfonamide
CID 122701338
(2S,3R)-3-(5-Methylpyrimidin-2-yl)butane-2-sulfonamide
CID 122702009
5-Bromo-2-chloro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 79072608
5-Bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine
CID 134150012
5-Bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 134157397
4-(5-Ethyl-2-methylpyrimidin-4-yl)thiomorpholine 1,1-dioxide
CID 50967110
N-({1-[(2-Methylpyrimidin-5-YL)methyl]pyrrolidin-3-YL}methyl)cyclopropanesulfonamide
CID 56758748
4-(4-(Propylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703312
5-Methyl-4-{4-[2-(methylthio)ethyl]piperazin-1-yl}pyrimidin-2-amine
CID 72857715
7-Cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane
CID 97472644
2-Cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane
CID 97472792

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine?
The IUPAC name of 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine (CID 71795093) is 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine?
The canonical SMILES for 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine is Cc1cncnc1N1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine?
The InChIKey is XDDRIDFZPIKDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-10-8-13-9-14-12(10)15-4-6-16(7-5-15)19(17,18)11-2-3-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine?
4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine has a molecular weight of 282.37 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 71795093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).