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

C18H26N6O2S — CID 125022851

IUPAC4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine
SMILESCc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C18H26N6O2S/c1-13-12-15(17-19-7-8-20-17)22-18(21-13)16-4-3-9-24(16)14-5-10-23(11-6-14)27(2,25)26/h7-8,12,14,16H,3-6,9-11H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyYTLZPQQETGFIJJ-INIZCTEOSA-N
MW390.51 g/mol
LogP1.74
Rot. Bonds4

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

4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine (PubChem CID 125022851) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine
PubChem CID125022851
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine
SMILESCc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C18H26N6O2S/c1-13-12-15(17-19-7-8-20-17)22-18(21-13)16-4-3-9-24(16)14-5-10-23(11-6-14)27(2,25)26/h7-8,12,14,16H,3-6,9-11H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyYTLZPQQETGFIJJ-INIZCTEOSA-N
XLogP1.74
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine
CID 110110927
(2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125014757
4-(1H-imidazol-2-yl)-2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine
CID 110109861
4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 110110518
2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110091082
1-[3-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110099625
2-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine
CID 124968077
3-[2-(1-cyclohexylpiperidin-2-yl)-6-methylpyrimidin-4-yl]propanoic acid
CID 110256791
2-[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 110091061
4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 124944043
3-[6-methyl-2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]benzoic acid
CID 124968580
2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanamine
CID 69351109

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine?
The IUPAC name of 4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine (CID 125022851) is 4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine?
The canonical SMILES for 4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine is Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2C2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine?
The InChIKey is YTLZPQQETGFIJJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-13-12-15(17-19-7-8-20-17)22-18(21-13)16-4-3-9-24(16)14-5-10-23(11-6-14)27(2,25)26/h7-8,12,14,16H,3-6,9-11H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of 4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine?
4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine has a molecular weight of 390.51 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-6-methyl-2-[(2S)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidine is sourced from PubChem (CID 125022851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).