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

C12H16N6OS — CID 72718174

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1cc(N(C)C)nc(CNC(=O)c2snnc2C)n1
InChIInChI=1S/C12H16N6OS/c1-7-5-10(18(3)4)15-9(14-7)6-13-12(19)11-8(2)16-17-20-11/h5H,6H2,1-4H3,(H,13,19)
InChIKeyZPPLNXGPEHQCNJ-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.94
Rot. Bonds4

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

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 72718174) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID72718174
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1cc(N(C)C)nc(CNC(=O)c2snnc2C)n1
InChIInChI=1S/C12H16N6OS/c1-7-5-10(18(3)4)15-9(14-7)6-13-12(19)11-8(2)16-17-20-11/h5H,6H2,1-4H3,(H,13,19)
InChIKeyZPPLNXGPEHQCNJ-UHFFFAOYSA-N
XLogP0.94
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide (CID 72718174) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide is Cc1cc(N(C)C)nc(CNC(=O)c2snnc2C)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is ZPPLNXGPEHQCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-7-5-10(18(3)4)15-9(14-7)6-13-12(19)11-8(2)16-17-20-11/h5H,6H2,1-4H3,(H,13,19).
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 292.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 72718174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).