N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide

C13H19N7OS — CID 56700162

IUPACN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCCNc1nc(C)cc(NCCNC(=O)c2snnc2C)n1
InChIInChI=1S/C13H19N7OS/c1-4-14-13-17-8(2)7-10(18-13)15-5-6-16-12(21)11-9(3)19-20-22-11/h7H,4-6H2,1-3H3,(H,16,21)(H2,14,15,17,18)
InChIKeyAMHYEIUWPUQPOC-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.22
Rot. Bonds7

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

N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 56700162) has the molecular formula C13H19N7OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID56700162
Molecular FormulaC13H19N7OS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC NameN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCCNc1nc(C)cc(NCCNC(=O)c2snnc2C)n1
InChIInChI=1S/C13H19N7OS/c1-4-14-13-17-8(2)7-10(18-13)15-5-6-16-12(21)11-9(3)19-20-22-11/h7H,4-6H2,1-3H3,(H,16,21)(H2,14,15,17,18)
InChIKeyAMHYEIUWPUQPOC-UHFFFAOYSA-N
XLogP1.22
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide (CID 56700162) is N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide is CCNc1nc(C)cc(NCCNC(=O)c2snnc2C)n1.
What is the InChIKey of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is AMHYEIUWPUQPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7OS/c1-4-14-13-17-8(2)7-10(18-13)15-5-6-16-12(21)11-9(3)19-20-22-11/h7H,4-6H2,1-3H3,(H,16,21)(H2,14,15,17,18).
What are the key properties of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide?
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 56700162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).