7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine

C16H14BrN7OS — CID 164855127

IUPAC7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESCOCc1cccc(Cn2cc(-c3nc(N)nc4c(Br)csc34)nn2)n1
InChIInChI=1S/C16H14BrN7OS/c1-25-7-10-4-2-3-9(19-10)5-24-6-12(22-23-24)14-15-13(11(17)8-26-15)20-16(18)21-14/h2-4,6,8H,5,7H2,1H3,(H2,18,20,21)
InChIKeyMYPALRKHOIAZKP-UHFFFAOYSA-N
MW432.31 g/mol
LogP2.88
Rot. Bonds5

About 7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine

7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 164855127) has the molecular formula C16H14BrN7OS and a molecular weight of 432.31 g/mol. Its IUPAC name is 7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID164855127
Molecular FormulaC16H14BrN7OS
Molecular Weight432.31 g/mol
Exact Mass431.02
IUPAC Name7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESCOCc1cccc(Cn2cc(-c3nc(N)nc4c(Br)csc34)nn2)n1
InChIInChI=1S/C16H14BrN7OS/c1-25-7-10-4-2-3-9(19-10)5-24-6-12(22-23-24)14-15-13(11(17)8-26-15)20-16(18)21-14/h2-4,6,8H,5,7H2,1H3,(H2,18,20,21)
InChIKeyMYPALRKHOIAZKP-UHFFFAOYSA-N
XLogP2.88
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile
CID 164855097
8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane
CID 142468444
4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methylphenyl)pyrimidin-2-amine
CID 165100654
4-[1-(1-benzofuran-6-ylmethyl)triazol-4-yl]-7-bromothieno[3,2-d]pyrimidin-2-amine
CID 164855170
4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
CID 164954782
4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-propan-2-ylphenyl)pyrimidin-2-amine
CID 135241997
2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164855146
3-[6-amino-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-2-pyridinyl]benzonitrile
CID 135256029
3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-phenyltriazolo[4,5-d]pyrimidin-5-amine
CID 44554660
2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164855162
8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine
CID 135382318
8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine
CID 135382314

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine (CID 164855127) is 7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine is COCc1cccc(Cn2cc(-c3nc(N)nc4c(Br)csc34)nn2)n1.
What is the InChIKey of 7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is MYPALRKHOIAZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN7OS/c1-25-7-10-4-2-3-9(19-10)5-24-6-12(22-23-24)14-15-13(11(17)8-26-15)20-16(18)21-14/h2-4,6,8H,5,7H2,1H3,(H2,18,20,21).
What are the key properties of 7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 432.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 164855127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).