2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone

C20H17N7OS — CID 152990805

IUPAC2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone
SMILESCc1nc(N)cc(-c2ccncc2CC(=O)c2nc(-c3nccs3)ccc2N)n1
InChIInChI=1S/C20H17N7OS/c1-11-25-16(9-18(22)26-11)13-4-5-23-10-12(13)8-17(28)19-14(21)2-3-15(27-19)20-24-6-7-29-20/h2-7,9-10H,8,21H2,1H3,(H2,22,25,26)
InChIKeyUWFRKMREWJKCRK-UHFFFAOYSA-N
MW403.47 g/mol
LogP2.96
Rot. Bonds5

About 2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone

2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone (PubChem CID 152990805) has the molecular formula C20H17N7OS and a molecular weight of 403.47 g/mol. Its IUPAC name is 2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone
PubChem CID152990805
Molecular FormulaC20H17N7OS
Molecular Weight403.47 g/mol
Exact Mass403.12
IUPAC Name2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone
SMILESCc1nc(N)cc(-c2ccncc2CC(=O)c2nc(-c3nccs3)ccc2N)n1
InChIInChI=1S/C20H17N7OS/c1-11-25-16(9-18(22)26-11)13-4-5-23-10-12(13)8-17(28)19-14(21)2-3-15(27-19)20-24-6-7-29-20/h2-7,9-10H,8,21H2,1H3,(H2,22,25,26)
InChIKeyUWFRKMREWJKCRK-UHFFFAOYSA-N
XLogP2.96
TPSA133.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone (CID 152990805) is 2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone is Cc1nc(N)cc(-c2ccncc2CC(=O)c2nc(-c3nccs3)ccc2N)n1.
What is the InChIKey of 2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone?
The InChIKey is UWFRKMREWJKCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7OS/c1-11-25-16(9-18(22)26-11)13-4-5-23-10-12(13)8-17(28)19-14(21)2-3-15(27-19)20-24-6-7-29-20/h2-7,9-10H,8,21H2,1H3,(H2,22,25,26).
What are the key properties of 2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone?
2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone has a molecular weight of 403.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 152990805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).