2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine

C15H25N5O2S — CID 95543227

IUPAC2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine
SMILESCN1CCN(c2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)CC1
InChIInChI=1S/C15H25N5O2S/c1-19-6-8-20(9-7-19)15-17-11-13(23(2,21)22)14(18-15)12-4-3-5-16-10-12/h11-12,16H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyVDHCEGZAVJTBBW-GFCCVEGCSA-N
MW339.47 g/mol
LogP0.10
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine

2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine (PubChem CID 95543227) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine
PubChem CID95543227
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine
SMILESCN1CCN(c2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)CC1
InChIInChI=1S/C15H25N5O2S/c1-19-6-8-20(9-7-19)15-17-11-13(23(2,21)22)14(18-15)12-4-3-5-16-10-12/h11-12,16H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyVDHCEGZAVJTBBW-GFCCVEGCSA-N
XLogP0.10
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidine
CID 95543228
1-(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)azocane;hydrochloride
CID 154885101
1-(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)azepane;hydrochloride
CID 154888601
1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol
CID 95894083
5-[5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 95894918
1-ethyl-4-(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)piperazin-2-one;hydrochloride
CID 154884750
1-methyl-4-[[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]methyl]piperidin-4-ol
CID 70779319
1-methyl-4-[[(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)amino]methyl]piperidin-4-ol;dihydrochloride
CID 154891310
2-methyl-1-[4-[2-(4-methylpiperazin-1-yl)-5-methylsulfonylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 95798529
2-cyclopentyl-1-[4-[2-(4-methylpiperazin-1-yl)-5-methylsulfonylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95798538
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 95893655
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine;dihydrochloride
CID 154884571

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine (CID 95543227) is 2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine is CN1CCN(c2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine?
The InChIKey is VDHCEGZAVJTBBW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-19-6-8-20(9-7-19)15-17-11-13(23(2,21)22)14(18-15)12-4-3-5-16-10-12/h11-12,16H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine?
2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine has a molecular weight of 339.47 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine is sourced from PubChem (CID 95543227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).