5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H21N5O2 — CID 133474303

IUPAC5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NC2CCOC(c3ccccc3)C2)n2ncnc2n1
InChIInChI=1S/C18H21N5O2/c1-24-11-15-10-17(23-18(22-15)19-12-20-23)21-14-7-8-25-16(9-14)13-5-3-2-4-6-13/h2-6,10,12,14,16,21H,7-9,11H2,1H3
InChIKeyQBKXYVNNEVVZIG-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.60
Rot. Bonds5

About 5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133474303) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133474303
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NC2CCOC(c3ccccc3)C2)n2ncnc2n1
InChIInChI=1S/C18H21N5O2/c1-24-11-15-10-17(23-18(22-15)19-12-20-23)21-14-7-8-25-16(9-14)13-5-3-2-4-6-13/h2-6,10,12,14,16,21H,7-9,11H2,1H3
InChIKeyQBKXYVNNEVVZIG-UHFFFAOYSA-N
XLogP2.60
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133274615
5-(methoxymethyl)-N-[[(1S,2R)-2-phenylcyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99104311
5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 130626781
1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one
CID 133342238
N-[(1-cyclopentylpyrazol-3-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133386099
5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 113346594
N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133353715
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133325708
6-cyclopropyl-2-[4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]pyridazin-3-one
CID 126935189
(2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol
CID 95326962
(2S)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol
CID 95326963
N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133274816

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133474303) is 5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cc(NC2CCOC(c3ccccc3)C2)n2ncnc2n1.
What is the InChIKey of 5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QBKXYVNNEVVZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-24-11-15-10-17(23-18(22-15)19-12-20-23)21-14-7-8-25-16(9-14)13-5-3-2-4-6-13/h2-6,10,12,14,16,21H,7-9,11H2,1H3.
What are the key properties of 5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 339.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133474303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).