2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol

C18H19N7OS — CID 164855146

IUPAC2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCc1cc2nc(N)nc(-c3cn(Cc4cccc(C(C)(C)O)n4)nn3)c2s1
InChIInChI=1S/C18H19N7OS/c1-10-7-12-16(27-10)15(22-17(19)21-12)13-9-25(24-23-13)8-11-5-4-6-14(20-11)18(2,3)26/h4-7,9,26H,8H2,1-3H3,(H2,19,21,22)
InChIKeyKVXAAAMSXRFEGE-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.51
Rot. Bonds4

About 2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol

2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (PubChem CID 164855146) has the molecular formula C18H19N7OS and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
PubChem CID164855146
Molecular FormulaC18H19N7OS
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCc1cc2nc(N)nc(-c3cn(Cc4cccc(C(C)(C)O)n4)nn3)c2s1
InChIInChI=1S/C18H19N7OS/c1-10-7-12-16(27-10)15(22-17(19)21-12)13-9-25(24-23-13)8-11-5-4-6-14(20-11)18(2,3)26/h4-7,9,26H,8H2,1-3H3,(H2,19,21,22)
InChIKeyKVXAAAMSXRFEGE-UHFFFAOYSA-N
XLogP2.51
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (CID 164855146) is 2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is Cc1cc2nc(N)nc(-c3cn(Cc4cccc(C(C)(C)O)n4)nn3)c2s1.
What is the InChIKey of 2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The InChIKey is KVXAAAMSXRFEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7OS/c1-10-7-12-16(27-10)15(22-17(19)21-12)13-9-25(24-23-13)8-11-5-4-6-14(20-11)18(2,3)26/h4-7,9,26H,8H2,1-3H3,(H2,19,21,22).
What are the key properties of 2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol has a molecular weight of 381.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 164855146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).