2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine

C15H19N5O2S — CID 95829198

IUPAC2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
SMILESCc1nccc(N2CCC[C@@H](c3ncncc3S(C)(=O)=O)C2)n1
InChIInChI=1S/C15H19N5O2S/c1-11-17-6-5-14(19-11)20-7-3-4-12(9-20)15-13(23(2,21)22)8-16-10-18-15/h5-6,8,10,12H,3-4,7,9H2,1-2H3/t12-/m1/s1
InChIKeyPBJXJROLYAACNF-GFCCVEGCSA-N
MW333.42 g/mol
LogP1.36
Rot. Bonds3

About 2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine

2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine (PubChem CID 95829198) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
PubChem CID95829198
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
SMILESCc1nccc(N2CCC[C@@H](c3ncncc3S(C)(=O)=O)C2)n1
InChIInChI=1S/C15H19N5O2S/c1-11-17-6-5-14(19-11)20-7-3-4-12(9-20)15-13(23(2,21)22)8-16-10-18-15/h5-6,8,10,12H,3-4,7,9H2,1-2H3/t12-/m1/s1
InChIKeyPBJXJROLYAACNF-GFCCVEGCSA-N
XLogP1.36
TPSA88.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
CID 95824516
5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124945589
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 95815880
2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 95815881
N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 125011669
cis-(1S,2R)-2-[4-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]cyclohexan-1-ol
CID 125026350
4-(4-cyclopentylpiperazin-1-yl)-2-methylpyrimidine
CID 121184719
4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine
CID 126468341
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane
CID 154742612
5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride
CID 71298737
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine (CID 95829198) is 2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine is Cc1nccc(N2CCC[C@@H](c3ncncc3S(C)(=O)=O)C2)n1.
What is the InChIKey of 2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine?
The InChIKey is PBJXJROLYAACNF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-11-17-6-5-14(19-11)20-7-3-4-12(9-20)15-13(23(2,21)22)8-16-10-18-15/h5-6,8,10,12H,3-4,7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine?
2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine has a molecular weight of 333.42 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 95829198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).