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

C18H17N7O2 — CID 135242138

IUPAC4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
SMILESCOCc1cccc(Cn2cc(-c3cc(-c4ccco4)nc(N)n3)nn2)n1
InChIInChI=1S/C18H17N7O2/c1-26-11-13-5-2-4-12(20-13)9-25-10-16(23-24-25)14-8-15(22-18(19)21-14)17-6-3-7-27-17/h2-8,10H,9,11H2,1H3,(H2,19,21,22)
InChIKeyNGLGHDWHOPNEET-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.17
Rot. Bonds6

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

4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine (PubChem CID 135242138) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
PubChem CID135242138
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
SMILESCOCc1cccc(Cn2cc(-c3cc(-c4ccco4)nc(N)n3)nn2)n1
InChIInChI=1S/C18H17N7O2/c1-26-11-13-5-2-4-12(20-13)9-25-10-16(23-24-25)14-8-15(22-18(19)21-14)17-6-3-7-27-17/h2-8,10H,9,11H2,1H3,(H2,19,21,22)
InChIKeyNGLGHDWHOPNEET-UHFFFAOYSA-N
XLogP2.17
TPSA117.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine (CID 135242138) is 4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine is COCc1cccc(Cn2cc(-c3cc(-c4ccco4)nc(N)n3)nn2)n1.
What is the InChIKey of 4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
The InChIKey is NGLGHDWHOPNEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-26-11-13-5-2-4-12(20-13)9-25-10-16(23-24-25)14-8-15(22-18(19)21-14)17-6-3-7-27-17/h2-8,10H,9,11H2,1H3,(H2,19,21,22).
What are the key properties of 4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine has a molecular weight of 363.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 135242138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).