4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine

C17H17N9O — CID 135242322

IUPAC4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine
SMILESCOCc1cccc(Cn2cc(-c3cc(-c4ccn[nH]4)nc(N)n3)nn2)n1
InChIInChI=1S/C17H17N9O/c1-27-10-12-4-2-3-11(20-12)8-26-9-16(24-25-26)15-7-14(21-17(18)22-15)13-5-6-19-23-13/h2-7,9H,8,10H2,1H3,(H,19,23)(H2,18,21,22)
InChIKeyNMFDFEOLGRNRSG-UHFFFAOYSA-N
MW363.39 g/mol
LogP1.30
Rot. Bonds6

About 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine

4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine (PubChem CID 135242322) has the molecular formula C17H17N9O and a molecular weight of 363.39 g/mol. Its IUPAC name is 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine
PubChem CID135242322
Molecular FormulaC17H17N9O
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine
SMILESCOCc1cccc(Cn2cc(-c3cc(-c4ccn[nH]4)nc(N)n3)nn2)n1
InChIInChI=1S/C17H17N9O/c1-27-10-12-4-2-3-11(20-12)8-26-9-16(24-25-26)15-7-14(21-17(18)22-15)13-5-6-19-23-13/h2-7,9H,8,10H2,1H3,(H,19,23)(H2,18,21,22)
InChIKeyNMFDFEOLGRNRSG-UHFFFAOYSA-N
XLogP1.30
TPSA133.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine?
The IUPAC name of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine (CID 135242322) is 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine is COCc1cccc(Cn2cc(-c3cc(-c4ccn[nH]4)nc(N)n3)nn2)n1.
What is the InChIKey of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine?
The InChIKey is NMFDFEOLGRNRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9O/c1-27-10-12-4-2-3-11(20-12)8-26-9-16(24-25-26)15-7-14(21-17(18)22-15)13-5-6-19-23-13/h2-7,9H,8,10H2,1H3,(H,19,23)(H2,18,21,22).
What are the key properties of 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine?
4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine has a molecular weight of 363.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(1H-pyrazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 135242322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).