N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide

C20H26N6O2S — CID 110248299

IUPACN-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCCC2)c(C2CCCN2C(=O)c2snnc2C)n1
InChIInChI=1S/C20H26N6O2S/c1-12-18(29-25-24-12)20(28)26-10-6-9-16(26)17-15(11-21-13(2)22-17)19(27)23-14-7-4-3-5-8-14/h11,14,16H,3-10H2,1-2H3,(H,23,27)
InChIKeyBPJOEBVQDBRHCA-UHFFFAOYSA-N
MW414.54 g/mol
LogP2.98
Rot. Bonds4

About N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide

N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 110248299) has the molecular formula C20H26N6O2S and a molecular weight of 414.54 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
PubChem CID110248299
Molecular FormulaC20H26N6O2S
Molecular Weight414.54 g/mol
Exact Mass414.18
IUPAC NameN-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCCC2)c(C2CCCN2C(=O)c2snnc2C)n1
InChIInChI=1S/C20H26N6O2S/c1-12-18(29-25-24-12)20(28)26-10-6-9-16(26)17-15(11-21-13(2)22-17)19(27)23-14-7-4-3-5-8-14/h11,14,16H,3-10H2,1-2H3,(H,23,27)
InChIKeyBPJOEBVQDBRHCA-UHFFFAOYSA-N
XLogP2.98
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(1-benzofuran-2-carbonyl)pyrrolidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
CID 110085080
4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide
CID 110085100
N-cyclohexyl-4-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640451
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085066
N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640403
N-cyclopropyl-4-[1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085045
4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
CID 124959856
[(2R)-2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 92617707
[(2S)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 92617774
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 115316269
[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70710523

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide (CID 110248299) is N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CCCCC2)c(C2CCCN2C(=O)c2snnc2C)n1.
What is the InChIKey of N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is BPJOEBVQDBRHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2S/c1-12-18(29-25-24-12)20(28)26-10-6-9-16(26)17-15(11-21-13(2)22-17)19(27)23-14-7-4-3-5-8-14/h11,14,16H,3-10H2,1-2H3,(H,23,27).
What are the key properties of N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?
N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 414.54 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110248299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).