4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine

C17H16N8OS — CID 135241329

IUPAC4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOCc1cccc(Cn2cc(-c3cc(-c4nccs4)nc(N)n3)nn2)n1
InChIInChI=1S/C17H16N8OS/c1-26-10-12-4-2-3-11(20-12)8-25-9-15(23-24-25)13-7-14(22-17(18)21-13)16-19-5-6-27-16/h2-7,9H,8,10H2,1H3,(H2,18,21,22)
InChIKeyWRQMPYARRKILKM-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.03
Rot. Bonds6

About 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine

4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 135241329) has the molecular formula C17H16N8OS and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID135241329
Molecular FormulaC17H16N8OS
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOCc1cccc(Cn2cc(-c3cc(-c4nccs4)nc(N)n3)nn2)n1
InChIInChI=1S/C17H16N8OS/c1-26-10-12-4-2-3-11(20-12)8-25-9-15(23-24-25)13-7-14(22-17(18)21-13)16-19-5-6-27-16/h2-7,9H,8,10H2,1H3,(H2,18,21,22)
InChIKeyWRQMPYARRKILKM-UHFFFAOYSA-N
XLogP2.03
TPSA117.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 135241329) is 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine is COCc1cccc(Cn2cc(-c3cc(-c4nccs4)nc(N)n3)nn2)n1.
What is the InChIKey of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is WRQMPYARRKILKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8OS/c1-26-10-12-4-2-3-11(20-12)8-25-9-15(23-24-25)13-7-14(22-17(18)21-13)16-19-5-6-27-16/h2-7,9H,8,10H2,1H3,(H2,18,21,22).
What are the key properties of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine?
4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 380.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 135241329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).