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

C22H23N7O — CID 164954782

IUPAC4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
SMILESCCc1ccccc1-c1cc(-c2cn(Cc3cccc(COC)n3)nn2)nc(N)n1
InChIInChI=1S/C22H23N7O/c1-3-15-7-4-5-10-18(15)19-11-20(26-22(23)25-19)21-13-29(28-27-21)12-16-8-6-9-17(24-16)14-30-2/h4-11,13H,3,12,14H2,1-2H3,(H2,23,25,26)
InChIKeyJNMYDFCLAMKBIS-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.14
Rot. Bonds7

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

4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine (PubChem CID 164954782) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
PubChem CID164954782
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine
SMILESCCc1ccccc1-c1cc(-c2cn(Cc3cccc(COC)n3)nn2)nc(N)n1
InChIInChI=1S/C22H23N7O/c1-3-15-7-4-5-10-18(15)19-11-20(26-22(23)25-19)21-13-29(28-27-21)12-16-8-6-9-17(24-16)14-30-2/h4-11,13H,3,12,14H2,1-2H3,(H2,23,25,26)
InChIKeyJNMYDFCLAMKBIS-UHFFFAOYSA-N
XLogP3.14
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine (CID 164954782) is 4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine is CCc1ccccc1-c1cc(-c2cn(Cc3cccc(COC)n3)nn2)nc(N)n1.
What is the InChIKey of 4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
The InChIKey is JNMYDFCLAMKBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-3-15-7-4-5-10-18(15)19-11-20(26-22(23)25-19)21-13-29(28-27-21)12-16-8-6-9-17(24-16)14-30-2/h4-11,13H,3,12,14H2,1-2H3,(H2,23,25,26).
What are the key properties of 4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine?
4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine has a molecular weight of 401.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 164954782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).