2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine

C14H16N4O — CID 66333890

IUPAC2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine
SMILESCOc1cc(N2Cc3ccc(N)cc3C2)nc(C)n1
InChIInChI=1S/C14H16N4O/c1-9-16-13(6-14(17-9)19-2)18-7-10-3-4-12(15)5-11(10)8-18/h3-6H,7-8,15H2,1-2H3
InChIKeyPNYOAOPHZPTERN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.90
Rot. Bonds2

About 2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine

2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine (PubChem CID 66333890) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine
PubChem CID66333890
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine
SMILESCOc1cc(N2Cc3ccc(N)cc3C2)nc(C)n1
InChIInChI=1S/C14H16N4O/c1-9-16-13(6-14(17-9)19-2)18-7-10-3-4-12(15)5-11(10)8-18/h3-6H,7-8,15H2,1-2H3
InChIKeyPNYOAOPHZPTERN-UHFFFAOYSA-N
XLogP1.90
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine (CID 66333890) is 2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine is COc1cc(N2Cc3ccc(N)cc3C2)nc(C)n1.
What is the InChIKey of 2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine?
The InChIKey is PNYOAOPHZPTERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-16-13(6-14(17-9)19-2)18-7-10-3-4-12(15)5-11(10)8-18/h3-6H,7-8,15H2,1-2H3.
What are the key properties of 2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine?
2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine has a molecular weight of 256.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-methylpyrimidin-4-yl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 66333890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).