4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine

C14H19N5O2S — CID 95820903

IUPAC4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine
SMILESCc1nc([C@H]2CCCN(S(C)(=O)=O)C2)cc(-n2ccnc2)n1
InChIInChI=1S/C14H19N5O2S/c1-11-16-13(8-14(17-11)18-7-5-15-10-18)12-4-3-6-19(9-12)22(2,20)21/h5,7-8,10,12H,3-4,6,9H2,1-2H3/t12-/m0/s1
InChIKeyATZLCPLYKWTETB-LBPRGKRZSA-N
MW321.41 g/mol
LogP1.11
Rot. Bonds3

About 4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine

4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine (PubChem CID 95820903) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine
PubChem CID95820903
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine
SMILESCc1nc([C@H]2CCCN(S(C)(=O)=O)C2)cc(-n2ccnc2)n1
InChIInChI=1S/C14H19N5O2S/c1-11-16-13(8-14(17-11)18-7-5-15-10-18)12-4-3-6-19(9-12)22(2,20)21/h5,7-8,10,12H,3-4,6,9H2,1-2H3/t12-/m0/s1
InChIKeyATZLCPLYKWTETB-LBPRGKRZSA-N
XLogP1.11
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-(1-methylsulfonylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine
CID 110254116
4-imidazol-1-yl-6-methyl-2-(1-methylsulfonylazetidin-3-yl)pyrimidine
CID 95842736
4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride
CID 171687273
4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine
CID 175662618
N-(2-methoxyethyl)-2-methyl-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-amine
CID 95825107
2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine
CID 110257313
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide
CID 94818852
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124938808
2-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124957097
2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829311

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine?
The IUPAC name of 4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine (CID 95820903) is 4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine is Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)cc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine?
The InChIKey is ATZLCPLYKWTETB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-11-16-13(8-14(17-11)18-7-5-15-10-18)12-4-3-6-19(9-12)22(2,20)21/h5,7-8,10,12H,3-4,6,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine?
4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine has a molecular weight of 321.41 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-methyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrimidine is sourced from PubChem (CID 95820903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).