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

C18H18N8OS — CID 135241636

IUPAC4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOCc1cccc(Cn2cc(-c3cc(-c4nc(C)cs4)nc(N)n3)nn2)n1
InChIInChI=1S/C18H18N8OS/c1-11-10-28-17(20-11)15-6-14(22-18(19)23-15)16-8-26(25-24-16)7-12-4-3-5-13(21-12)9-27-2/h3-6,8,10H,7,9H2,1-2H3,(H2,19,22,23)
InChIKeyIEQLSIYQBOMDMD-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.34
Rot. Bonds6

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

4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 135241636) has the molecular formula C18H18N8OS and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID135241636
Molecular FormulaC18H18N8OS
Molecular Weight394.46 g/mol
Exact Mass394.13
IUPAC Name4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOCc1cccc(Cn2cc(-c3cc(-c4nc(C)cs4)nc(N)n3)nn2)n1
InChIInChI=1S/C18H18N8OS/c1-11-10-28-17(20-11)15-6-14(22-18(19)23-15)16-8-26(25-24-16)7-12-4-3-5-13(21-12)9-27-2/h3-6,8,10H,7,9H2,1-2H3,(H2,19,22,23)
InChIKeyIEQLSIYQBOMDMD-UHFFFAOYSA-N
XLogP2.34
TPSA117.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.34
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-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine (CID 135241636) is 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-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-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine is COCc1cccc(Cn2cc(-c3cc(-c4nc(C)cs4)nc(N)n3)nn2)n1.
What is the InChIKey of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is IEQLSIYQBOMDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8OS/c1-11-10-28-17(20-11)15-6-14(22-18(19)23-15)16-8-26(25-24-16)7-12-4-3-5-13(21-12)9-27-2/h3-6,8,10H,7,9H2,1-2H3,(H2,19,22,23).
What are the key properties of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 394.46 g/mol, XLogP of 2.34, 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-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 135241636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).