N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide

C17H25N7OS — CID 141223783

IUPACN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nc(NC2CCC(NC(=O)c3snnc3C)CC2)cc(N(C)C)n1
InChIInChI=1S/C17H25N7OS/c1-10-16(26-23-22-10)17(25)21-13-7-5-12(6-8-13)20-14-9-15(24(3)4)19-11(2)18-14/h9,12-13H,5-8H2,1-4H3,(H,21,25)(H,18,19,20)
InChIKeyBEXKTIAUDXEEMY-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.16
Rot. Bonds5

About N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 141223783) has the molecular formula C17H25N7OS and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide
PubChem CID141223783
Molecular FormulaC17H25N7OS
Molecular Weight375.50 g/mol
Exact Mass375.18
IUPAC NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nc(NC2CCC(NC(=O)c3snnc3C)CC2)cc(N(C)C)n1
InChIInChI=1S/C17H25N7OS/c1-10-16(26-23-22-10)17(25)21-13-7-5-12(6-8-13)20-14-9-15(24(3)4)19-11(2)18-14/h9,12-13H,5-8H2,1-4H3,(H,21,25)(H,18,19,20)
InChIKeyBEXKTIAUDXEEMY-UHFFFAOYSA-N
XLogP2.16
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide (CID 141223783) is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide is Cc1nc(NC2CCC(NC(=O)c3snnc3C)CC2)cc(N(C)C)n1.
What is the InChIKey of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is BEXKTIAUDXEEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7OS/c1-10-16(26-23-22-10)17(25)21-13-7-5-12(6-8-13)20-14-9-15(24(3)4)19-11(2)18-14/h9,12-13H,5-8H2,1-4H3,(H,21,25)(H,18,19,20).
What are the key properties of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide?
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 141223783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).